imidazo[2,1-b][1,3]thiazol-6-ylmethanol

• ChemBase ID: 101185
• Molecular Formular: C6H6N2OS
• Molecular Mass: 154.18964
• Monoisotopic Mass: 154.02008382
• SMILES: c12nc(cn1ccs2)CO
• Canonical SMILES: OCc1cn2c(n1)scc2
• InChI: InChI=1S/C6H6N2OS/c9-4-5-3-8-1-2-10-6(8)7-5/h1-3,9H,4H2
• InChIKey: GBUTVPCKMACQMG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: imidazo[2,1-b][1,3]thiazol-6-ylmethanol
• IUPAC Traditional name: imidazo[2,1-b][1,3]thiazol-6-ylmethanol
• Synonyms: imidazo[2,1-b]thiazol-6-ylmethanol

Database IDs

• CAS Number: 349480-74-6
• MDL Number: MFCD07368518
• PubChem SID: 162087255
• PubChem CID: 4961267

CALCULATED PROPERTIES

• Acid pKa: 14.108628
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.15348601
• LogD (pH = 7.4): 0.15902877
• Log P: 0.1591
• Molar Refractivity: 49.8061 cm^3
• Polarizability: 14.489591 Å^3
• Polar Surface Area: 37.53 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 97%