[5-(1-{2H,3H-imidazo[2,1-b][1,3]thiazol-6-ylmethyl}-4-phenyl-1H-imidazol-5-yl)furan-2-yl]methanol

• ChemBase ID: 581955
• Molecular Formular: C20H18N4O2S
• Molecular Mass: 378.44752
• Monoisotopic Mass: 378.11504684
• SMILES: c1(n(cnc1c1ccccc1)Cc1nc2n(c1)CCS2)c1oc(cc1)CO
• Canonical SMILES: OCc1ccc(o1)c1n(cnc1c1ccccc1)Cc1cn2c(n1)SCC2
• InChI: InChI=1S/C20H18N4O2S/c25-12-16-6-7-17(26-16)19-18(14-4-2-1-3-5-14)21-13-24(19)11-15-10-23-8-9-27-20(23)22-15/h1-7,10,13,25H,8-9,11-12H2
• InChIKey: IRLDAKXJYFLBGO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [5-(1-{2H,3H-imidazo[2,1-b][1,3]thiazol-6-ylmethyl}-4-phenyl-1H-imidazol-5-yl)furan-2-yl]methanol
• IUPAC Traditional name: [5-(3-{2H,3H-imidazo[2,1-b][1,3]thiazol-6-ylmethyl}-5-phenylimidazol-4-yl)furan-2-yl]methanol
• Synonyms: {5-[1-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-phenyl-1H-imidazol-5-yl]-2-furyl}methanol

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.743304
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.5938945
• LogD (pH = 7.4): 2.682852
• Log P: 2.6840599
• Molar Refractivity: 105.18 cm^3
• Polarizability: 42.48788 Å^3
• Polar Surface Area: 69.01 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.17
• LOG S: -3.82
• Polar Surface Area: 69.01 Å^2
• Rotatable Bonds: 5