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

• ChemBase ID: 250718
• Molecular Formular: C11H11N3O2S
• Molecular Mass: 249.28894
• Monoisotopic Mass: 249.05719761
• SMILES: n1c(csc1N)c1cc(NC(=O)C)c(cc1)O
• Canonical SMILES: CC(=O)Nc1cc(ccc1O)c1csc(n1)N
• InChI: InChI=1S/C11H11N3O2S/c1-6(15)13-8-4-7(2-3-10(8)16)9-5-17-11(12)14-9/h2-5,16H,1H3,(H2,12,14)(H,13,15)
• InChIKey: HCYCFCBZPVGADV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD07686050
• PubChem SID: 164306628
• PubChem CID: 7064074

CALCULATED PROPERTIES

• Acid pKa: 8.276619
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): 1.4383025
• LogD (pH = 7.4): 1.4005538
• Log P: 1.4545834
• Molar Refractivity: 67.0482 cm^3
• Polarizability: 25.671415 Å^3
• Polar Surface Area: 88.24 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 219 - 221°C
• Hydrophobicity(logP): 1.293

Product Information

• Purity: 95%