Basic information
- CAS
5021-68-1- Standard SMILES
Cc1nc(C(N)=O)c(N)s1- InChIKey
WIQCMOCQJSQTKW-UHFFFAOYSA-N- Molecular formula
- C5H7N3OS
- Average molar mass
- 157.2 g/mol
Names & identifiers
- Preferred name
- 5-Amino-2-methylthiazole-4-carboxamide
- IUPAC
- 5-amino-2-methyl-1,3-thiazole-4-carboxamide
- English name
- 4-Thiazolecarboxamide, 5-amino-2-methyl-
- Molecular formula
- C5H7N3OS
- Molecular weight
- 157.19
Names & synonyms
5-Amino-2-methylthiazole-4-carboxamide5021-68-15-AMINO-2-METHYL-1,3-THIAZOLE-4-CARBOXAMIDESCHEMBL12661719DA-380354-Thiazolecarboxamide, 5-amino-2-methyl-5-amino-2-methyl-4-Thiazolecarboxamide4-Thiazolecarboxamide, 5-amino-2-methyl-
Database identifiers
- CAS
5021-68-1
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 152
Physicochemical properties
- Melting point
- 175 · 175-177 °C
- Boiling point
- 349.3 · 349.3±22.0 °C(Predicted)
- Density
- 1.436 · 1.436±0.06 g/cm3(Predicted)
- pka
- 14.77 · 14.77±0.50(Predicted)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers1 total
Alchem Pharmtech,Inc.8485655694 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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