Basic information
- CAS
31557-88-7- Standard SMILES
Cc1csc(NC(=O)CC#N)n1- InChIKey
KOJQVNDKPYWDDC-UHFFFAOYSA-N- Molecular formula
- C7H7N3OS
- Average molar mass
- 181.22 g/mol
- Monoisotopic mass
- 181.03098303
Names & identifiers
- Preferred name
- 2-cyano-N-(4-methyl-1,3-thiazol-2-yl)acetamide
- IUPAC
- 2-cyano-N-(4-methyl-1,3-thiazol-2-yl)acetamide
- English name
- 2-cyano-N-(4-methyl-1,3-thiazol-2-yl)acetamide
- Molecular formula
- C7H7N3OS
- Molecular weight
- 181.21
Names & synonyms
2-cyano-N-(4-methyl-1,3-thiazol-2-yl)acetamide31557-88-72-cyano-N-(4-methylthiazol-2-yl)acetamide2-Cyano-N-(4-methyl-2-thiazolyl)acetamide2-cyano-N-(4-methyl(1,3-thiazol-2-yl))acetamideOprea1_831509SCHEMBL8283113DTXSID30351193SBB015803AKOS000172232ST50107917AS-871/41429313
Show more names
Acetamide, 2-cyano-N-(4-methyl-2-thiazolyl)-
F1711-0244
Database identifiers
- CAS
31557-88-7- PubChem CID
- 693168
- DTXSID
DTXSID30351193- Nikkaji
- J2.492.325H
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 94 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 222
Physicochemical properties
- Melting point
- 160 · 160-162 °C(Solv: ethanol (64-17-5))
- Density
- 1.379 · 1.379±0.06 g/cm3(Predicted)
- pka
- 13.44 · 13.44±0.10(Predicted)
Chemistry & industry
Suppliers3 total
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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