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

• ChemBase ID: 253686
• Molecular Formular: C7H8N2O2S
• Molecular Mass: 184.21562
• Monoisotopic Mass: 184.03064851
• SMILES: n1c2n(c(c1OC)CO)ccs2
• Canonical SMILES: COc1nc2n(c1CO)ccs2
• InChI: InChI=1S/C7H8N2O2S/c1-11-6-5(4-10)9-2-3-12-7(9)8-6/h2-3,10H,4H2,1H3
• InChIKey: KAFZURQKDNMDPC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD09052974
• PubChem SID: 164309596
• PubChem CID: 16227970

CALCULATED PROPERTIES

• Acid pKa: 14.060428
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.218895
• LogD (pH = 7.4): 0.21889985
• Log P: 0.2189
• Molar Refractivity: 56.9825 cm^3
• Polarizability: 17.05393 Å^3
• Polar Surface Area: 46.76 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.67

Product Information

• Purity: 95%