Basic information
- CAS
71576-04-0- Standard SMILES
O=C(O)CCC(=O)Nc1nc(-c2ccccc2)cs1- InChIKey
JSVUMSHBCQCDSY-UHFFFAOYSA-N- Molecular formula
- C13H12N2O3S
- Average molar mass
- 276.31 g/mol
- Monoisotopic mass
- 276.05686324
Names & identifiers
- Preferred name
- Butanoic acid, 4-oxo-4-((4-phenyl-2-thiazolyl)amino)-
- IUPAC
- 4-oxo-4-[(4-phenyl-1,3-thiazol-2-yl)amino]butanoic acid
- English name
- (Z)-4-oxo-4-((4-phenylthiazol-2(3H)-ylidene)amino)butanoic acid
- Molecular formula
- C13H12N2O3S
- Molecular weight
- 276.31
Names & synonyms
71576-04-0F 16574-Oxo-4-((4-phenyl-2-thiazolyl)amino)butanoic acidAcide N(phenyl-4 thiazolyl-2) succinamique [French]Butanoic acid, 4-oxo-4-((4-phenyl-2-thiazolyl)amino)-Acide N(phenyl-4 thiazolyl-2) succinamiqueRefChem:3309004-oxo-4-[(4-phenyl-1,3-thiazol-2-yl)amino]butanoic acid4-oxo-4-((4-phenylthiazol-2-yl)amino)butanoic acid3-[(4-phenyl-1,3-thiazol-2-yl)carbamoyl]propanoic acidF0856-01734-oxo-4-[(4-phenylthiazol-2-yl)amino]butanoic acid
Show more names
Butanoic acid, 4-oxo-4-[(4-phenyl-2-thiazolyl)amino]-(Z)-4-oxo-4-((4-phenylthiazol-2(3H)-ylidene)amino)butanoic acid
3-[N-(4-phenyl-1,3-thiazol-2-yl)carbamoyl]propanoic acidstarbld0014637Cambridge id 5552545Oprea1_056505Oprea1_176841Oprea1_685124MLS000054060IFLab1_004016
Database identifiers
- CAS
71576-04-0
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 332
Chemistry & industry
Suppliers1 total
Alinda Chemical Ltd.+7 (495) 672-17-08 · [email protected]
Related reactions
1 records
Compound notes
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