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

• ChemBase ID: 80577
• Molecular Formular: C8H7NOS2
• Molecular Mass: 197.27728
• Monoisotopic Mass: 196.99690585
• SMILES: n1c(c2cccs2)scc1CO
• Canonical SMILES: OCc1csc(n1)c1cccs1
• InChI: InChI=1S/C8H7NOS2/c10-4-6-5-12-8(9-6)7-2-1-3-11-7/h1-3,5,10H,4H2
• InChIKey: TZBZCRGHSMCQSQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 54986-94-6
• MDL Number: MFCD02682029
• PubChem SID: 162067697
• PubChem CID: 2776319

CALCULATED PROPERTIES

• Acid pKa: 13.881716
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.7480643
• LogD (pH = 7.4): 1.7480787
• Log P: 1.7480791
• Molar Refractivity: 59.5516 cm^3
• Polarizability: 19.536024 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true