5-{6-methylimidazo[2,1-b][1,3]thiazol-5-yl}-4-phenyl-1H-imidazole

• ChemBase ID: 785735
• Molecular Formular: C15H12N4S
• Molecular Mass: 280.34758
• Monoisotopic Mass: 280.0782674
• SMILES: c1(c2c(nc[nH]2)c2ccccc2)n2c(nc1C)scc2
• Canonical SMILES: Cc1nc2n(c1c1[nH]cnc1c1ccccc1)ccs2
• InChI: InChI=1S/C15H12N4S/c1-10-14(19-7-8-20-15(19)18-10)13-12(16-9-17-13)11-5-3-2-4-6-11/h2-9H,1H3,(H,16,17)
• InChIKey: XZDGYNPOZYLQCC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-{6-methylimidazo[2,1-b][1,3]thiazol-5-yl}-4-phenyl-1H-imidazole
• IUPAC Traditional name: 4-{6-methylimidazo[2,1-b][1,3]thiazol-5-yl}-5-phenyl-3H-imidazole
• Synonyms: 6-methyl-5-(4-phenyl-1H-imidazol-5-yl)imidazo[2,1-b][1,3]thiazole

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.2300825
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.1627054
• LogD (pH = 7.4): 2.3238707
• Log P: 2.3264542
• Molar Refractivity: 90.7141 cm^3
• Polarizability: 32.47639 Å^3
• Polar Surface Area: 45.98 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 5.18
• LOG S: -5.66
• Polar Surface Area: 45.98 Å^2
• Rotatable Bonds: 2