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| CAS No.: | 74411-19-1 |
|---|---|
| Name: | thiazole-5-carboxamide |
| Article Data: | 3 |
| Molecular Structure: | |
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| Formula: | C4H4N2OS |
| Molecular Weight: | 128.155 |
| Synonyms: | Thiazole-5-carboxamide; |
| EINECS: | 277-861-6 |
| Density: | 1.41 g/cm3 |
| Melting Point: | 196 °C |
| Boiling Point: | 365.2 °C at 760 mmHg |
| Flash Point: | 174.7 °C |
| Risk Codes: | 36 |
| Safety: | 26 |
| PSA: | 84.22000 |
| LogP: | 0.94230 |
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Specification
The IUPAC name of 5-Thiazolecarboxamide is 1,3-thiazole-5-carboxamide. With the CAS registry number 74411-19-1, it is also named as Thiazole-5-carboxamide. The product's categories are Building Blocks; Thiazole. In addition, its molecular formula is C4H4N2OS and molecular weight is 128.15236.
The other characteristics of 5-Thiazolecarboxamide can be summarized as: (1)EINECS: 277-861-6; (2)ACD/LogP: -1.04; (3)# of Rule of 5 Violations: 0; (4)ACD/LogD (pH 5.5): -1.04; (5)ACD/LogD (pH 7.4): -1.04; (6)ACD/BCF (pH 5.5): 1; (7)ACD/BCF (pH 7.4): 1; (8)ACD/KOC (pH 5.5): 6.49; (9)ACD/KOC (pH 7.4): 6.49; (10)#H bond acceptors: 3; (11)#H bond donors: 2; (12)#Freely Rotating Bonds: 1; (13)Polar Surface Area: 61.44 Å2; (14)Index of Refraction: 1.613; (15)Molar Refractivity: 31.65 cm3; (16)Molar Volume: 90.8 cm3; (17)Polarizability: 12.55×10-24cm3; (18)Surface Tension: 66.1 dyne/cm; (19)Density: 1.41 g/cm3; (20)Flash Point: 174.7 °C; (21)Enthalpy of Vaporization: 61.15 kJ/mol; (22)Boiling Point: 365.2 °C at 760 mmHg; (23)Vapour Pressure: 1.59E-05 mmHg at 25 °C.
People can use the following data to convert to the molecule structure.
(1)Canonical SMILES: C1=C(SC=N1)C(=O)N
(2)InChI: InChI=1S/C4H4N2OS/c5-4(7)3-1-6-2-8-3/h1-2H,(H2,5,7)
(3)InChIKey: GGNIKGLUPSHSBV-UHFFFAOYSA-N