[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methanol

• ChemBase ID: 41158
• Molecular Formular: C13H12N2OS
• Molecular Mass: 244.31218
• Monoisotopic Mass: 244.06703401
• SMILES: c12nc(c(n1ccs2)CO)c1ccc(cc1)C
• Canonical SMILES: OCc1c(nc2n1ccs2)c1ccc(cc1)C
• InChI: InChI=1S/C13H12N2OS/c1-9-2-4-10(5-3-9)12-11(8-16)15-6-7-17-13(15)14-12/h2-7,16H,8H2,1H3
• InChIKey: WYWLCPJDSLGCMM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methanol
• IUPAC Traditional name: [6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methanol
• Synonyms: [6-(4-Methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methanol

Database IDs

• CAS Number: 82588-60-1
• MDL Number: MFCD03425761
• PubChem SID: 162045921
• PubChem CID: 2763827

CALCULATED PROPERTIES

• Acid pKa: 14.672126
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.3219776
• LogD (pH = 7.4): 2.3236783
• Log P: 2.3237
• Molar Refractivity: 80.0112 cm^3
• Polarizability: 27.141033 Å^3
• Polar Surface Area: 37.53 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 192 - 194 °C; 192-194°C

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%