The 4-Thiazolecarboxamide,2-amino-, also known as 2-Aminothiazole-4-carboxylamide, is the organic compound with the formula C4H5N3OS. It belongs to the product categories of Amide; Heterocyclic Compounds; Pyridine. With the CAS registry number 118452-02-1, its IUPAC name is 2-amino-1,3-thiazole-4-carboxamide.
Physical properties of 4-Thiazolecarboxamide,2-amino-: (1)ACD/LogP: -1.10; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 5.98; (5)ACD/KOC (pH 7.4): 6.02; (6)#H bond acceptors: 4; (7)#H bond donors: 4; (8)#Freely Rotating Bonds: 1; (9)Index of Refraction: 1.697; (10)Molar Refractivity: 35.89 cm3; (11)Molar Volume: 93.1 cm3; (12)Surface Tension: 87.5 dyne/cm; (13)Density: 1.537 g/cm3; (14)Flash Point: 232.2 °C; (15)Enthalpy of Vaporization: 72.1 kJ/mol; (16)Boiling Point: 460.3 °C at 760 mmHg; (17)Vapour Pressure: 1.18E-08 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=C(N=C(S1)N)C(=O)N
(2)InChI: InChI=1S/C4H5N3OS/c5-3(8)2-1-9-4(6)7-2/h1H,(H2,5,8)(H2,6,7)
(3)InChIKey: YSNYFPFEBBRSHS-UHFFFAOYSA-N
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