Basic information
- CAS
72632-83-8- Standard SMILES
NC(=O)c1nsc(-c2ccc([N+](=O)[O-])cc2)c1N- InChIKey
KDDAOCSYJUVIHH-UHFFFAOYSA-N- Molecular formula
- C10H8N4O3S
- Average molar mass
- 264.26 g/mol
- Monoisotopic mass
- 264.0317113
Names & identifiers
- Preferred name
- 4-Amino-5-(4-nitrophenyl)-1,2-thiazole-3-carboxamide
- IUPAC
- 4-amino-5-(4-nitrophenyl)-1,2-thiazole-3-carboxamide
Names & synonyms
4-amino-5-(4-nitrophenyl)-1,2-thiazole-3-carboxamide72632-83-8DTXSID00320351RefChem:289978DTXCID80271473NSC358290NSC-358290
Database identifiers
- CAS
72632-83-8- PubChem CID
- 337964
- DTXSID
DTXSID00320351
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 156 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 341
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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