-
Name
N-[5-[[[5-(1,1-Dimethylethyl)-2-oxazolyl]methyl]thio]-2-thiazolyl]-4-piperidinecarboxamide hydrochloride
- EINECS
- CAS No. 345627-90-9
- Article Data3
- CAS DataBase
- Density
- Solubility
- Melting Point
- Formula C17H24N4O2S2.HCl
- Boiling Point
- Molecular Weight 416.996
- Flash Point
- Transport Information
- Appearance
- Safety
- Risk Codes
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Molecular Structure
- Hazard Symbols
- Synonyms RS0026;N-[5-[[[5-(1,1-Dimethylethyl)-2-oxazolyl]methyl]thio]-2-thiazolyl]-4-piperidinecarboxamide hydrochloride;N-[5-[[[5-(1,1-Dimethylethyl)-2-oxazolyl]methyl]thio]-2-thiazolyl]-4-piperidinecarboxamide,monohydrochloride;
- PSA 137.08000
- LogP 5.43930
N-[5-[[[5-(1,1-Dimethylethyl)-2-oxazolyl]methyl]thio]-2-thiazolyl]-4-piperidinecarboxamide hydrochloride Specification
The N-[5-[[[5-(1,1-Dimethylethyl)-2-oxazolyl]methyl]thio]-2-thiazolyl]-4-piperidinecarboxamide hydrochloride, with the CAS registry number 345627-90-9, has the molecular formula C17H24N4O2S2.HCl. In addition, its molecular weight is 416.98. Its systematic name is called N-(5-{[(5-tert-butyl-1,3-oxazol-2-yl)methyl]sulfanyl}-1,3-thiazol-2-yl)piperidine-4-carboxamide hydrochloride (1:1).
Physical properties of N-[5-[[[5-(1,1-Dimethylethyl)-2-oxazolyl]methyl]thio]-2-thiazolyl]-4-piperidinecarboxamide hydrochloride: (1)ACD/LogP: 2.79; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0; (4)ACD/LogD (pH 7.4): 0; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 2; (9)#H bond acceptors: 6; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 116.01 Å2.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(Nc2ncc(SCc1ncc(o1)C(C)(C)C)s2)C3CCNCC3.Cl
(2)InChI: InChI=1/C17H24N4O2S2.ClH/c1-17(2,3)12-8-19-13(23-12)10-24-14-9-20-16(25-14)21-15(22)11-4-6-18-7-5-11;/h8-9,11,18H,4-7,10H2,1-3H3,(H,20,21,22);1H
(3)InChIKey: PKCYFIUOIGVHLX-UHFFFAOYAB
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