{2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl}methanol

• ChemBase ID: 252038
• Molecular Formular: C8H10N2OS
• Molecular Mass: 182.2428
• Monoisotopic Mass: 182.05138395
• SMILES: c12n(c(c(n1)C)CO)cc(s2)C
• Canonical SMILES: OCc1c(C)nc2n1cc(s2)C
• InChI: InChI=1S/C8H10N2OS/c1-5-3-10-7(4-11)6(2)9-8(10)12-5/h3,11H,4H2,1-2H3
• InChIKey: JJMMPXPZBLFCGN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl}methanol
• IUPAC Traditional name: {2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl}methanol
• Synonyms: (2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methanol

Database IDs

• CAS Number: 123772-40-7
• MDL Number: MFCD07850231
• PubChem SID: 164307948
• PubChem CID: 9115255

CALCULATED PROPERTIES

• Acid pKa: 14.374213
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.53385323
• LogD (pH = 7.4): 0.5636068
• Log P: 0.564
• Molar Refractivity: 59.8536 cm^3
• Polarizability: 17.991514 Å^3
• Polar Surface Area: 37.53 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 149 - 151°C
• Hydrophobicity(logP): 0.877

Product Information

• Purity: 95%