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Basic information
- Standard SMILES
Cc1nc(C#N)sc1C(=O)NCc1ccccc1- InChIKey
ONSHUSKXUONCAP-UHFFFAOYSA-N- Molecular formula
- C13H11N3OS
- Average molar mass
- 257.31 g/mol
- Monoisotopic mass
- 257.06228316
Names & identifiers
- Preferred name
- N-benzyl-2-cyano-4-methylthiazole-5-carboxamide
- IUPAC
- N-benzyl-2-cyano-4-methyl-1,3-thiazole-5-carboxamide
Names & synonyms
SCHEMBL3046765ONSHUSKXUONCAP-UHFFFAOYSA-NN-benzyl-2-cyano-4-methylthiazole-5-carboxamide
Database identifiers
- PubChem CID
- 68492000
Properties
Computed structural propertiesFilling in
- XLogP
- 2.5
- Topological polar surface area
- 94 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 345
Related reactions
7 records
Compound notes
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