N-[5-(4-hydroxyphenyl)-1,3-thiazol-2-yl]acetamide

• ChemBase ID: 257235
• Molecular Formular: C11H10N2O2S
• Molecular Mass: 234.2743
• Monoisotopic Mass: 234.04629857
• SMILES: c1(sc(cn1)c1ccc(cc1)O)NC(=O)C
• Canonical SMILES: CC(=O)Nc1ncc(s1)c1ccc(cc1)O
• InChI: InChI=1S/C11H10N2O2S/c1-7(14)13-11-12-6-10(16-11)8-2-4-9(15)5-3-8/h2-6,15H,1H3,(H,12,13,14)
• InChIKey: NHCQIFMCORNBMM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[5-(4-hydroxyphenyl)-1,3-thiazol-2-yl]acetamide
• IUPAC Traditional name: N-[5-(4-hydroxyphenyl)-1,3-thiazol-2-yl]acetamide
• Synonyms: N-[5-(4-hydroxyphenyl)-1,3-thiazol-2-yl]acetamide

Database IDs

• MDL Number: MFCD11099631
• PubChem SID: 164313145
• PubChem CID: 39869923

CALCULATED PROPERTIES

• Acid pKa: 9.425771
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.8943131
• LogD (pH = 7.4): 1.8903227
• Log P: 1.8943651
• Molar Refractivity: 62.5039 cm^3
• Polarizability: 24.550007 Å^3
• Polar Surface Area: 62.22 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 218 - 220°C
• Hydrophobicity(logP): 2.034

Product Information

• Purity: 95%