[2-(pyridin-2-yl)-1,3-thiazol-4-yl]methanol

• ChemBase ID: 266075
• Molecular Formular: C9H8N2OS
• Molecular Mass: 192.23762
• Monoisotopic Mass: 192.03573389
• SMILES: n1c(scc1CO)c1ncccc1
• Canonical SMILES: OCc1csc(n1)c1ccccn1
• InChI: InChI=1S/C9H8N2OS/c12-5-7-6-13-9(11-7)8-3-1-2-4-10-8/h1-4,6,12H,5H2
• InChIKey: SVDAGPDUMJCEPH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(pyridin-2-yl)-1,3-thiazol-4-yl]methanol
• IUPAC Traditional name: [2-(pyridin-2-yl)-1,3-thiazol-4-yl]methanol
• Synonyms: [2-(pyridin-2-yl)-1,3-thiazol-4-yl]methanol

Database IDs

• MDL Number: MFCD11505651
• PubChem SID: 164321985
• PubChem CID: 10750266

CALCULATED PROPERTIES

• Acid pKa: 13.872166
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.1391056
• LogD (pH = 7.4): 1.1391087
• Log P: 1.1391089
• Molar Refractivity: 60.1328 cm^3
• Polarizability: 19.955873 Å^3
• Polar Surface Area: 46.01 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 95 - 97°C
• Hydrophobicity(logP): 0.346

Product Information

• Purity: 95%