N-(5-nitro-1,3-thiazol-2-yl)butanamide
Basic information
- CAS
14645-50-2- Standard SMILES
CCCC(=O)Nc1ncc([N+](=O)[O-])s1- InChIKey
AFGXQBZUGLBRNH-UHFFFAOYSA-N- Molecular formula
- C7H9N3O3S
- Average molar mass
- 215.23 g/mol
- Monoisotopic mass
- 215.03646233
Names & identifiers
- Preferred name
- N-(5-nitro-1,3-thiazol-2-yl)butanamide
- IUPAC
- N-(5-nitro-1,3-thiazol-2-yl)butanamide
Names & synonyms
N-(5-nitro-1,3-thiazol-2-yl)butanamide14645-50-2N-(5-Nitro-thiazol-2-yl)-butyramideN-(5-Nitrothiazol-2-yl)butyramideMFCD05660721STK296811NSC284700BUTANAMIDE,N-(5-NITRO-2-THIAZOLYL)-SCHEMBL5836289CHEMBL4585999DTXSID70314520N-(5-nitrothiazol-2-yl)butanamide
Show more names
AKOS005428661NSC-284700DS-010549F545493
Database identifiers
- CAS
14645-50-2- PubChem CID
- 323571
- DTXSID
DTXSID70314520- ChEMBL
CHEMBL4585999
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 231
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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