Basic information
- CAS
49779-96-6- Standard SMILES
CC(=O)Nc1nc(-c2ccc(Cl)cc2)c(CC(=O)O)s1- InChIKey
WRDDUWAOAXNARV-UHFFFAOYSA-N- Molecular formula
- C13H11ClN2O3S
- Average molar mass
- 310.76 g/mol
- Monoisotopic mass
- 310.0178911
Names & identifiers
- Preferred name
- Thiazole-5-acetic acid, 2-acetamido-4-(p-chlorophenyl)-
- IUPAC
- 2-[2-acetamido-4-(4-chlorophenyl)-1,3-thiazol-5-yl]acetic acid
- English name
- 2-(Acetylamino)-4-(4-chlorophenyl)thiazole-5-acetic acid
- Molecular formula
- C13H11ClN2O3S
- Molecular weight
- 310.76
Names & synonyms
49779-96-6Thiazole-5-acetic acid, 2-acetamido-4-(p-chlorophenyl)-BRN 0554399Kwas 2-acetamino-4-p-chlorofenylo-tiazolo-5-octowy [Polish]2-Acetylamino-4-p-chlorophenylthiazole-5-acetic acidDTXSID70198044Kwas 2-acetamino-4-p-chlorofenylo-tiazolo-5-octowyRefChem:384602DTXCID00120535KAATSCHEMBL118612112-(Acetylamino)-4-(4-chlorophenyl)thiazole-5-acetic acid
Show more names
5-Thiazoleacetic acid, 2-(acetylamino)-4-(4-chlorophenyl)-
[2-Acetamido-4-(4-chlorophenyl)-1,3-thiazol-5-yl]acetic acid[2-Acetylamino-4-(4-chloro-phenyl)-thiazol-5-yl]-acetic acid
Database identifiers
- CAS
49779-96-6- PubChem CID
- 206367
- DTXSID
DTXSID70198044- Nikkaji
- J66.444H
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 375
Chemistry & industry
Suppliers1 total
PRINCETON[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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