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

• ChemBase ID: 117496
• Molecular Formular: C7H8N2OS
• Molecular Mass: 168.21622
• Monoisotopic Mass: 168.03573389
• SMILES: c12n(c(c(n1)C)CO)ccs2
• Canonical SMILES: Cc1nc2n(c1CO)ccs2
• InChI: InChI=1S/C7H8N2OS/c1-5-6(4-10)9-2-3-11-7(9)8-5/h2-3,10H,4H2,1H3
• InChIKey: RNCFSVSYFCIZPM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 76919-40-9
• MDL Number: MFCD02253176
• PubChem SID: 162102653
• PubChem CID: 332985

CALCULATED PROPERTIES

• Acid pKa: 14.373495
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.069333196
• LogD (pH = 7.4): -0.05656534
• Log P: -0.0564
• Molar Refractivity: 54.7973 cm^3
• Polarizability: 16.242483 Å^3
• Polar Surface Area: 37.53 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 180 - 182°C
• Partition Coefficient: -0.08
• Hydrophobicity(logP): 0.578

Product Information

• Purity: 95%; 95+%