4-hydroxy-N-(1,3-thiazol-2-yl)benzamide

• ChemBase ID: 311189
• Molecular Formular: C10H8N2O2S
• Molecular Mass: 220.24772
• Monoisotopic Mass: 220.03064851
• SMILES: N(c1nccs1)C(=O)c1ccc(cc1)O
• Canonical SMILES: Oc1ccc(cc1)C(=O)Nc1nccs1
• InChI: InChI=1S/C10H8N2O2S/c13-8-3-1-7(2-4-8)9(14)12-10-11-5-6-15-10/h1-6,13H,(H,11,12,14)
• InChIKey: CTQNWFBTVDVVIC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-hydroxy-N-(1,3-thiazol-2-yl)benzamide
• IUPAC Traditional name: 4-hydroxy-N-(1,3-thiazol-2-yl)benzamide
• Synonyms: 4-hydroxy-N-1,3-thiazol-2-ylbenzamide

Database IDs

• CAS Number: 94042-62-3
• MDL Number: MFCD01176138

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 2.104249
• LogD (pH = 7.4): 2.077062
• Log P: 2.104608
• Molar Refractivity: 58.2541 cm^3
• Polarizability: 21.374437 Å^3
• Polar Surface Area: 62.22 Å^2