2-Amino-N-(2-chloro-6-methylphenyl)thiazole-5-carboxamide supplier

Name
2-Amino-N-(2-chloro-6-methylphenyl)thiazole-5-carboxamide
EINECS 1806241-263-5
CAS No. 302964-24-5
Article Data32
CAS DataBase
Density 1.474 g/cm³
Solubility
Melting Point 208.0 to 212.0 °C
Formula C₁₁H₁₀ClN₃OS
Boiling Point 362 °C at 760 mmHg
Molecular Weight 267.739
Flash Point 172.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Amino-N-(2-chloro-6-methylphenyl)-1,3-thiazole-5-carboxamide;
PSA 96.25000
LogP 3.59360

Synthetic route

: N-(2-chloro-6-methylphenyl)-3-ethoxyprop-2-enamide

: 17356-08-0
thiourea

: 302964-24-5
2-amino-N-(2-chloro-6-methylphenyl)-1,3-thiazole-5-carboxamide

Conditions

Conditions	Yield
Stage #1: N-(2-chloro-6-methylphenyl)-3-ethoxyprop-2-enamide With 1-butyl-3-methylimidazolium Tetrafluoroborate; copper(I) bromide In tetrahydrofuran for 0.5h; Stage #2: thiourea In tetrahydrofuran at 40℃; for 1.5h; Temperature; Solvent; Reagent/catalyst;	98.9%
Stage #1: N-(2-chloro-6-methylphenyl)-3-ethoxyprop-2-enamide With N-Bromosuccinimide In 1,4-dioxane; water at 0 - 10℃; Stage #2: thiourea In 1,4-dioxane; water at 20 - 80℃;	85 g
With N-Bromosuccinimide at -10 - 80℃;

: 863127-76-8
(E)-N-(2-chloro-6-methylphenyl)-3-ethoxyacrylamide

: 17356-08-0
thiourea

: 302964-24-5
2-amino-N-(2-chloro-6-methylphenyl)-1,3-thiazole-5-carboxamide

Conditions

Conditions	Yield
Stage #1: (E)-N-(2-chloro-6-methylphenyl)-3-ethoxyacrylamide With iodine(I) bromide; 1-n-butyl-3-methylimidazolim bromide In tetrahydrofuran at 40℃; Stage #2: thiourea In tetrahydrofuran for 1.5h; Temperature; Concentration; Solvent; Reagent/catalyst;	98.8%
Stage #1: (E)-N-(2-chloro-6-methylphenyl)-3-ethoxyacrylamide With N-Bromosuccinimide In 1,4-dioxane; water at -10 - 22℃; for 3h; Stage #2: thiourea In 1,4-dioxane; water at 100℃; for 2h; Stage #3: With ammonia In 1,4-dioxane; water at 20 - 22℃;	90%
Stage #1: (E)-N-(2-chloro-6-methylphenyl)-3-ethoxyacrylamide With N-Bromosuccinimide In 1,4-dioxane at -10 - 22℃; for 3h; Stage #2: thiourea In 1,4-dioxane at 100℃; for 2h; Stage #3: With ammonium hydroxide In 1,4-dioxane; water at 20 - 22℃;	90%
Stage #1: (E)-N-(2-chloro-6-methylphenyl)-3-ethoxyacrylamide With N-Bromosuccinimide In 1,4-dioxane; water at 25 - 30℃; for 3h; Stage #2: thiourea In 1,4-dioxane; water at 25 - 70℃; for 2h;	213 g

: C10H9BrClNO2

: 17356-08-0
thiourea

: 302964-24-5
2-amino-N-(2-chloro-6-methylphenyl)-1,3-thiazole-5-carboxamide

Conditions

Conditions	Yield
for 0.0611111h; Microwave irradiation;	97.23%
at 20℃; for 1h;	95.94%
In water at 20℃; for 2h; Solvent;	95.94%

: 1044209-25-7
C10H10ClNO2

: 17356-08-0
thiourea

: 302964-24-5
2-amino-N-(2-chloro-6-methylphenyl)-1,3-thiazole-5-carboxamide

Conditions

Conditions	Yield
With copper(ll) bromide In tetrahydrofuran; water at 35 - 40℃; for 0.5h; Reagent/catalyst; Solvent;	96.13%

: 17356-08-0
thiourea

: 302964-24-5
2-amino-N-(2-chloro-6-methylphenyl)-1,3-thiazole-5-carboxamide

Conditions

Conditions	Yield
Stage #1: (E)-N-(2-chloro-6-methylphenyl)-3-ethoxyacrylamide With N-Bromosuccinimide In 1,4-dioxane; water at -10 - 22℃; for 3h; Stage #2: thiourea In 1,4-dioxane; water at 80℃; for 2h;	94.9%

: 34780-29-5
3-oxo-propionic acid ethyl ester

: 17356-08-0
thiourea

: 87-63-8
2-chloro-6-methylaniline

: 302964-24-5
2-amino-N-(2-chloro-6-methylphenyl)-1,3-thiazole-5-carboxamide

Conditions

Conditions	Yield
Stage #1: 3-oxo-propionic acid ethyl ester With sodium methylate In tetrahydrofuran at 20℃; for 0.166667h; Stage #2: 2-chloro-6-methylaniline In tetrahydrofuran for 0.75h; Reflux; Stage #3: thiourea Solvent; Further stages;	92.31%
Stage #1: 3-oxo-propionic acid ethyl ester; 2-chloro-6-methylaniline With sodium methylate In tetrahydrofuran for 0.75h; Reflux; Stage #2: With copper(ll) bromide In tetrahydrofuran for 1h; Reflux; Stage #3: thiourea In tetrahydrofuran at 20 - 25℃; for 0.25h; Reagent/catalyst;	90.94%

...Expand

: 302964-06-3
[5-(2-chloro-6-methylphenylcarbamoyl)thiazol-2-yl]-carbamic acid tert-butyl ester

: 302964-24-5
2-amino-N-(2-chloro-6-methylphenyl)-1,3-thiazole-5-carboxamide

Conditions

Conditions	Yield
With trifluoroacetic acid at 25 - 30℃; for 2h;	89%
With trifluoroacetic acid In dichloromethane at -5 - 20℃; for 10.5h;	85%
With trifluoroacetic acid at 25 - 30℃; Reagent/catalyst; Temperature;	78%

: N-(2-chloro-6-methylphenyl)-2-(tritylamino)thiazole-5-carboxamide

: 302964-24-5
2-amino-N-(2-chloro-6-methylphenyl)-1,3-thiazole-5-carboxamide

Conditions

Conditions	Yield
With formic acid In ethanol Heating / reflux;	70%

: 87-63-8
2-chloro-6-methylaniline

: 302964-24-5
2-amino-N-(2-chloro-6-methylphenyl)-1,3-thiazole-5-carboxamide

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: i-Pr2NEt / tetrahydrofuran 2: TFA / CH2Cl2 View Scheme
Multi-step reaction with 2 steps 1: pyridine / tetrahydrofuran 2: N-Bromosuccinimide / -10 - 80 °C View Scheme
Multi-step reaction with 2 steps 1.1: sodium methylate / tetrahydrofuran / 0.17 h / 20 °C 1.2: 1 h / Reflux 1.3: 2 h / Reflux 2.1: water / 2 h / 20 °C View Scheme
Multi-step reaction with 2 steps 1.1: sodium methylate / tetrahydrofuran / 10 h / 20 °C 1.2: 1 h / Reflux 2.1: copper(ll) bromide / tetrahydrofuran; water / 0.5 h / 35 - 40 °C View Scheme
Multi-step reaction with 2 steps 1.1: sodium methylate / tetrahydrofuran / 1 h / Reflux 1.2: 2 h / Reflux 2.1: 0.06 h / Microwave irradiation View Scheme

: 2-chloro-N-(2-chloro-6-methyl-phenyl)-3,3-dimethoxy-propionamide

: 17356-08-0
thiourea

: 302964-24-5
2-amino-N-(2-chloro-6-methylphenyl)-1,3-thiazole-5-carboxamide

Conditions

Conditions	Yield
Stage #1: 2-chloro-N-(2-chloro-6-methyl-phenyl)-3,3-dimethoxy-propionamide; thiourea With hydrogenchloride; acetic acid at 50 - 65℃; for 11h; Industry scale; Stage #2: With sodium methylate In methanol pH=8 - 9; Industry scale;

: C12H13BrClNO2

: 17356-08-0
thiourea

: 302964-24-5
2-amino-N-(2-chloro-6-methylphenyl)-1,3-thiazole-5-carboxamide

Conditions

Conditions	Yield
Stage #1: C12H13BrClNO2; thiourea In 1,4-dioxane; water at 80℃; for 2h; Stage #2: With ammonium hydroxide In 1,4-dioxane; water at 20 - 22℃;	5.3 g

: C11H11BrClN3OS

: 302964-24-5
2-amino-N-(2-chloro-6-methylphenyl)-1,3-thiazole-5-carboxamide

Conditions

Conditions	Yield
In dichloromethane at 20℃;

: N-(2-chloro-6-methylphenyl)-3-ethoxyprop-2-enamide

: 302964-24-5
2-amino-N-(2-chloro-6-methylphenyl)-1,3-thiazole-5-carboxamide

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: N-Bromosuccinimide / 1,4-dioxane; water 2: dichloromethane / 20 °C View Scheme

: 863127-76-8
(E)-N-(2-chloro-6-methylphenyl)-3-ethoxyacrylamide

: 302964-24-5
2-amino-N-(2-chloro-6-methylphenyl)-1,3-thiazole-5-carboxamide

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: N-Bromosuccinimide; water / 1,4-dioxane / 3 h / -10 - 22 °C 2: 1,4-dioxane; water / 2 h / 80 °C View Scheme

: 1416737-47-7
C12H15BrClNO3

: 17356-08-0
thiourea

: 302964-24-5
2-amino-N-(2-chloro-6-methylphenyl)-1,3-thiazole-5-carboxamide

Conditions

Conditions	Yield
In 1,4-dioxane; water at 80℃; for 2h;	2.4 g

: 32955-21-8
2-amino-thiazole-5-carboxylic acid ethyl ester

: 87-63-8
2-chloro-6-methylaniline

: 302964-24-5
2-amino-N-(2-chloro-6-methylphenyl)-1,3-thiazole-5-carboxamide

Conditions

Conditions	Yield
Stage #1: 2-chloro-6-methylaniline With ethyl bromide; iodine; magnesium In tetrahydrofuran at 0 - 20℃; Stage #2: 2-amino-thiazole-5-carboxylic acid ethyl ester In tetrahydrofuran	17.0 g

: N-(2-chloro-6-methylphenyl)-3-ethoxyprop-2-enamide

: 76758-01-5
N-tritylthiourea

: 302964-24-5
2-amino-N-(2-chloro-6-methylphenyl)-1,3-thiazole-5-carboxamide

Conditions

Conditions	Yield
Stage #1: N-(2-chloro-6-methylphenyl)-3-ethoxyprop-2-enamide With N-Bromosuccinimide In 1,4-dioxane; water at 0 - 10℃; Stage #2: N-tritylthiourea In 1,4-dioxane; water at 20 - 80℃;	85 g

: 6191-99-7
3-ethoxyacryloyl chloride

: 17356-08-0
thiourea

: 87-63-8
2-chloro-6-methylaniline

: 302964-24-5
2-amino-N-(2-chloro-6-methylphenyl)-1,3-thiazole-5-carboxamide

Conditions

Conditions	Yield
Stage #1: 3-ethoxyacryloyl chloride; 2-chloro-6-methylaniline Stage #2: thiourea With N-Bromosuccinimide

...Expand

: 1780-26-3
2,4-dichloro-2-methylpyrimidine

: 302964-24-5
2-amino-N-(2-chloro-6-methylphenyl)-1,3-thiazole-5-carboxamide

: 302964-08-5
2-(6-chloro-2-methylpyrimidin-4-ylamino)-N-(2-chloro-6-methylphenyl)thiazole-5-carboxamide

Conditions

Conditions	Yield
With potassium hydride In tetrahydrofuran at -25 - -10℃; for 4h; Reagent/catalyst; Temperature;	98.7%
Stage #1: 2,4-dichloro-2-methylpyrimidine; 2-amino-N-(2-chloro-6-methylphenyl)-1.3-thiazole-5-carboxamide In tetrahydrofuran at 5 - 20℃; for 0.75h; Stage #2: With sodium t-butanolate In tetrahydrofuran at 5 - 10℃; for 2.25h;	97%
Stage #1: 2,4-dichloro-2-methylpyrimidine; 2-amino-N-(2-chloro-6-methylphenyl)-1.3-thiazole-5-carboxamide With sodium t-butanolate In tetrahydrofuran at 10 - 20℃; Stage #2: With hydrogenchloride In tetrahydrofuran; water at 0 - 5℃; for 2h; pH=2 - 3; Temperature; Reagent/catalyst;	94%

: C10H18N2O4

: 302964-24-5
2-amino-N-(2-chloro-6-methylphenyl)-1,3-thiazole-5-carboxamide

: C20H24ClN5O4S

Conditions

Conditions	Yield
Stage #1: 2-amino-N-(2-chloro-6-methylphenyl)-1.3-thiazole-5-carboxamide With trimethylaluminum In hexane; dichloromethane at 20℃; for 2h; Stage #2: C10H18N2O4 In hexane; dichloromethane at 60℃; for 5h; Solvent; Reagent/catalyst;	98%

: 103-76-4
1-(2-hydroxyethyl)piperazine

: 1780-26-3
2,4-dichloro-2-methylpyrimidine

: 302964-24-5
2-amino-N-(2-chloro-6-methylphenyl)-1,3-thiazole-5-carboxamide

: 302962-49-8
dasatanib

Conditions

Conditions	Yield
Stage #1: 1-(2-hydroxyethyl)piperazine; 2,4-dichloro-2-methylpyrimidine With potassium phosphate; 1-butyl-3-methylimidazolium aminoethanic acid salt at 80℃; for 1.5h; Stage #2: 2-amino-N-(2-chloro-6-methylphenyl)-1.3-thiazole-5-carboxamide at 20 - 80℃; for 2h; Reagent/catalyst;	92.27%
Stage #1: 1-(2-hydroxyethyl)piperazine; 2,4-dichloro-2-methylpyrimidine With potassium phosphate; 1-butyl-3-methylimidazolium aminoethanic acid salt In N,N-dimethyl acetamide at 80℃; for 2h; Stage #2: 2-amino-N-(2-chloro-6-methylphenyl)-1.3-thiazole-5-carboxamide In N,N-dimethyl acetamide at 80℃; for 3h; Solvent;	89.31%
Stage #1: 1-(2-hydroxyethyl)piperazine; 2,4-dichloro-2-methylpyrimidine With copper(l) iodide; dimethylaminoacetic acid; O4P(3-)O4P(3-)3K(1+) In N,N-dimethyl-formamide at 20℃; for 0.666667h; Stage #2: 2-amino-N-(2-chloro-6-methylphenyl)-1.3-thiazole-5-carboxamide at 120℃; for 6h; Inert atmosphere;	88.41%

...Expand

: 1679-64-7
Monomethyl terephthalate

: 302964-24-5
2-amino-N-(2-chloro-6-methylphenyl)-1,3-thiazole-5-carboxamide

: C20H16ClN3O4S

Conditions

Conditions	Yield
Stage #1: Monomethyl terephthalate With triethylamine; HATU In tetrahydrofuran at 20℃; for 0.5h; Stage #2: 2-amino-N-(2-chloro-6-methylphenyl)-1.3-thiazole-5-carboxamide In tetrahydrofuran at 20℃;	85%

: 1780-26-3
2,4-dichloro-2-methylpyrimidine

: 302964-24-5
2-amino-N-(2-chloro-6-methylphenyl)-1,3-thiazole-5-carboxamide

: (2-(6-chloro-2-methylpyrimidine-4-ylamino)-N-(2-chloro-6-methylpbenyl)thiazole-5-carboxamide)

Conditions

Conditions	Yield
With sodium t-butanolate In tetrahydrofuran at 10 - 30℃; Inert atmosphere; Large scale;	83.5%

: 127116-19-2
2-(4-(6-chloro-2-methylpyrimidin-4-yl)piperazin-1-yl)ethanol

: 302964-24-5
2-amino-N-(2-chloro-6-methylphenyl)-1,3-thiazole-5-carboxamide

: 302962-49-8
dasatanib

Conditions

Conditions	Yield
In 1,4-dioxane at 75℃; for 3h; Concentration;	83.2%
With potassium carbonate; palladium diacetate; 2,2'-bis-(diphenylphosphino)-1,1'-binaphthyl at 100 - 110℃; for 20h;

: 79-04-9
chloroacetyl chloride

: 302964-24-5
2-amino-N-(2-chloro-6-methylphenyl)-1,3-thiazole-5-carboxamide

: 1323138-80-2
N-(2-chloro-6-methylphenyl)-2-(2-chloroacetamido)-5-thiazolecarboxamide

Conditions

Conditions	Yield
With potassium carbonate In tetrahydrofuran at 0 - 60℃; for 3.08h;	80.6%
With triethylamine In dichloromethane at 0 - 20℃;	73.6%

: 876-08-4
p-(chloromethyl)benzoyl chloride

: 302964-24-5
2-amino-N-(2-chloro-6-methylphenyl)-1,3-thiazole-5-carboxamide

: N-(2-chloro-6-methylphenyl)-2-[4-(chloromethyl)benzamido]thiazole-5-carboxamide

Conditions

Conditions	Yield
Stage #1: 2-amino-N-(2-chloro-6-methylphenyl)-1.3-thiazole-5-carboxamide With triethylamine In tetrahydrofuran for 0.25h; Cooling; Stage #2: p-(chloromethyl)benzoyl chloride In tetrahydrofuran for 3h;	76.44%

: 854382-06-2
2-((pyridin-4-ylmethyl)amino)nicotinic acid

: 302964-24-5
2-amino-N-(2-chloro-6-methylphenyl)-1,3-thiazole-5-carboxamide

: N-(2-chloro-6-methylphenyl)-2-(2-((pyridin-4-ylmethyl)amino)nicotinamido)thiazole-5-carboxamide

Conditions

Conditions	Yield
Stage #1: 2-((pyridin-4-ylmethyl)amino)nicotinic acid With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In N,N-dimethyl-formamide for 0.5h; Cooling with ice; Stage #2: 2-amino-N-(2-chloro-6-methylphenyl)-1.3-thiazole-5-carboxamide In N,N-dimethyl-formamide at 20℃; for 16h; Cooling with ice;	74.1%

: 4224-70-8
6-bromohexanoic acid

: 302964-24-5
2-amino-N-(2-chloro-6-methylphenyl)-1,3-thiazole-5-carboxamide

: C17H20ClN3O3S

Conditions

Conditions	Yield
With triethylamine In tetrahydrofuran at 60℃;	62%

: 302964-24-5
2-amino-N-(2-chloro-6-methylphenyl)-1,3-thiazole-5-carboxamide

: 302964-07-4
2-bromo-N-(2-chloro-6-methylphenyl)-1,3-thiazole-5-carboxamide

Conditions

Conditions	Yield
With tert.-butylnitrite; copper(ll) bromide In acetonitrile at 20℃;	51%
With copper(I) bromide; sodium nitrite

: 540-80-7
tert.-butylnitrite

: 302964-24-5
2-amino-N-(2-chloro-6-methylphenyl)-1,3-thiazole-5-carboxamide

: 302964-07-4
2-bromo-N-(2-chloro-6-methylphenyl)-1,3-thiazole-5-carboxamide

Conditions

Conditions	Yield
With copper(ll) bromide In acetonitrile at 20℃;	51%

: 108-77-0
1,3,5-trichloro-2,4,6-triazine

: 302964-24-5
2-amino-N-(2-chloro-6-methylphenyl)-1,3-thiazole-5-carboxamide

: C25H18Cl3N9O2S2

Conditions

Conditions	Yield
Stage #1: 1,3,5-trichloro-2,4,6-triazine; 2-amino-N-(2-chloro-6-methylphenyl)-1.3-thiazole-5-carboxamide With sodium t-butanolate In tetrahydrofuran at 0 - 20℃; for 1.5h; Stage #2: With hydrogenchloride In tetrahydrofuran; water	40%

: 1973-04-2
2,4-dichloro-6-methyl-1,3,5-triazine

: 302964-24-5
2-amino-N-(2-chloro-6-methylphenyl)-1,3-thiazole-5-carboxamide

: 1035343-44-2
C15H12Cl2N6OS

Conditions

Conditions	Yield
With diisopropylamine In tetrahydrofuran at 0 - 20℃; for 2.5h;	33%
With diisopropylamine In tetrahydrofuran at 0 - 20℃; for 2.5h;	33%

: 302964-24-5
2-amino-N-(2-chloro-6-methylphenyl)-1,3-thiazole-5-carboxamide

: 1609-86-5
Tert-butyl isocyanate

: 2-[[[(1,1-dimethylethyl)amino]carbonyl]amino]-N-(2-chloro-6-methylphenyl)-5-thiazolecarboxamide

Conditions

Conditions	Yield
With sodium hydride In tetrahydrofuran at 0℃; for 1h;	28%

: 33993-24-7
cyclopropanecarboxylic anhydride

: 302964-24-5
2-amino-N-(2-chloro-6-methylphenyl)-1,3-thiazole-5-carboxamide

: 2-[(Cyclopropylcarbonyl)amino]-N-(2-chloro-6-methylphenyl)-5-thiazolecarboxamide

Conditions

Conditions	Yield
In 1,4-dioxane at 93℃;	17%
In 1,4-dioxane at 93℃;	11 mg

: 536993-71-2
2,4-dichloro-6-iso-butyl-1,3,5-triazine

: 302964-24-5
2-amino-N-(2-chloro-6-methylphenyl)-1,3-thiazole-5-carboxamide

: 1258411-45-8
C18H18Cl2N6OS

Conditions

Conditions	Yield
With diisopropylamine In tetrahydrofuran at 0℃; for 6h;	9%

: 527-69-5
2-furancarbonyl chloride

: 302964-24-5
2-amino-N-(2-chloro-6-methylphenyl)-1,3-thiazole-5-carboxamide

: N-(2-chloro-6-methylphenyl)-2-[(2-furanylcarbonyl)amino]-5-thiazolecarboxamide

Conditions

Conditions	Yield
With dmap In tetrahydrofuran

: 4023-34-1
cyclopropanecarboxylic acid chloride

: 302964-24-5
2-amino-N-(2-chloro-6-methylphenyl)-1,3-thiazole-5-carboxamide

: 2-[(Cyclopropylcarbonyl)amino]-N-(2-chloro-6-methylphenyl)-5-thiazolecarboxamide

Conditions

Conditions	Yield
With dmap In tetrahydrofuran

: 98-88-4
benzoyl chloride

: 302964-24-5
2-amino-N-(2-chloro-6-methylphenyl)-1,3-thiazole-5-carboxamide

: 2-(benzoylamino)-N-(2-chloro-6-methylphenyl)-5-thiazolecarboxamide

Conditions

Conditions	Yield
With dmap In tetrahydrofuran

: 4994-86-9
4-chloro-2-methylpyrimidine

: 302964-24-5
2-amino-N-(2-chloro-6-methylphenyl)-1,3-thiazole-5-carboxamide

: N-(2-chloro-6-methylphenyl)-2-(2-methylpyrimidin-4-ylamino)thiazole-5-carboxamide

Conditions

Conditions	Yield
With sodium hydride In tetrahydrofuran

2-Amino-N-(2-chloro-6-methylphenyl)thiazole-5-carboxamide Specification

The systematic name of 2-Amino-N-(2-chloro-6-methylphenyl)thiazole-5-carboxamide is 2-amino-N-(2-chloro-6-methylphenyl)-1,3-thiazole-5-carboxamide. With the CAS registry number 302964-24-5, it is also named as 5-Thiazolecarboxamide,2-amino-N-(2-chloro-6-methylphenyl)-. The product's categories are Dasatinib; API Intermediates. In addition, its molecular formula is C₁₁H₁₀ClN₃OS and molecular weight is 267.73.

The other characteristics of 2-Amino-N-(2-chloro-6-methylphenyl)thiazole-5-carboxamide can be summarized as: (1)ACD/LogP: 1.75; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.75; (4)ACD/LogD (pH 7.4): 1.75; (5)ACD/BCF (pH 5.5): 12.53; (6)ACD/BCF (pH 7.4): 12.58; (7)ACD/KOC (pH 5.5): 212.28; (8)ACD/KOC (pH 7.4): 213.21; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 96.25 Å²; (13)Index of Refraction: 1.714; (14)Molar Refractivity: 71.26 cm³; (15)Molar Volume: 181.5 cm³; (16)Polarizability: 28.24×10^-24cm³; (17)Surface Tension: 69.2 dyne/cm; (18)Density: 1.474 g/cm³; (19)Flash Point: 172.7 °C; (20)Enthalpy of Vaporization: 60.79 kJ/mol; (21)Boiling Point: 362 °C at 760 mmHg; (22)Vapour Pressure: 1.99E-05 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: O=C(Nc1c(C)cccc1Cl)c2cnc(N)s2
(2)InChI: InChI=1/C11H10ClN3OS/c1-6-3-2-4-7(12)9(6)15-10(16)8-5-14-11(13)17-8/h2-5H,1H3,(H2,13,14)(H,15,16)
(3)InChIKey: VVOXTERFTAJMAA-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C11H10ClN3OS/c1-6-3-2-4-7(12)9(6)15-10(16)8-5-14-11(13)17-8/h2-5H,1H3,(H2,13,14)(H,15,16)
(5)Std. InChIKey: VVOXTERFTAJMAA-UHFFFAOYSA-N

Product Name

2-Amino-N-(2-chloro-6-methylphenyl)thiazole-5-carboxamide

Synthetic route

2-Amino-N-(2-chloro-6-methylphenyl)thiazole-5-carboxamide Specification

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