N-[2-hydroxy-5-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide hydrochloride

• ChemBase ID: 250641
• Molecular Formular: C12H13ClN2O2S
• Molecular Mass: 284.76182
• Monoisotopic Mass: 284.03862635
• SMILES: n1c(csc1C)c1cc(NC(=O)C)c(cc1)O.Cl
• Canonical SMILES: CC(=O)Nc1cc(ccc1O)c1csc(n1)C.Cl
• InChI: InChI=1S/C12H12N2O2S.ClH/c1-7(15)13-10-5-9(3-4-12(10)16)11-6-17-8(2)14-11;/h3-6,16H,1-2H3,(H,13,15);1H
• InChIKey: HRUKFRAUOMWYNE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD07681940
• PubChem SID: 164306551
• PubChem CID: 16263940

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.7211468
• LogD (pH = 7.4): 1.6696979
• Log P: 1.722324
• Molar Refractivity: 67.3152 cm^3
• Polarizability: 26.28937 Å^3
• Polar Surface Area: 62.22 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• Acid pKa: 8.286598

PROPERTIES

Physical Property

• Melting Point: 190 - 192°C
• Hydrophobicity(logP): 2.049

Product Information

• Purity: 95%
• Salt Data: HCl