Basic information
- CAS
87945-33-3- Standard SMILES
N#Cc1c(Cc2ccccc2)nsc1N- InChIKey
WVFZLVHQYFFTIP-UHFFFAOYSA-N- Molecular formula
- C11H9N3S
- Average molar mass
- 215.28 g/mol
- Monoisotopic mass
- 215.05171847
Names & identifiers
- Preferred name
- 5-Amino-3-benzyl-1,2-thiazole-4-carbonitrile
- IUPAC
- 5-amino-3-benzyl-1,2-thiazole-4-carbonitrile
Names & synonyms
87945-33-35-Amino-3-benzyl-1,2-thiazole-4-carbonitrileSCHEMBL9013559DTXSID30597933
Database identifiers
- CAS
87945-33-3- PubChem CID
- 19087061
- DTXSID
DTXSID30597933
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 90.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 254
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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