4-(1-{[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl}azetidin-3-yl)pyridine

• ChemBase ID: 616746
• Molecular Formular: C21H20N4S
• Molecular Mass: 360.4753
• Monoisotopic Mass: 360.14086766
• SMILES: c1(n2c(nc1c1ccc(cc1)C)scc2)CN1CC(C1)c1ccncc1
• Canonical SMILES: Cc1ccc(cc1)c1nc2n(c1CN1CC(C1)c1ccncc1)ccs2
• InChI: InChI=1S/C21H20N4S/c1-15-2-4-17(5-3-15)20-19(25-10-11-26-21(25)23-20)14-24-12-18(13-24)16-6-8-22-9-7-16/h2-11,18H,12-14H2,1H3
• InChIKey: OEGJLDPRMFIXIF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(1-{[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl}azetidin-3-yl)pyridine
• IUPAC Traditional name: 4-(1-{[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl}azetidin-3-yl)pyridine
• Synonyms: 6-(4-methylphenyl)-5-{[3-(4-pyridinyl)-1-azetidinyl]methyl}imidazo[2,1-b][1,3]thiazole

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.1474481
• LogD (pH = 7.4): 2.931689
• Log P: 3.4850357
• Molar Refractivity: 116.9889 cm^3
• Polarizability: 41.48807 Å^3
• Polar Surface Area: 33.43 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 4.11
• LOG S: -3.03
• Polar Surface Area: 33.43 Å^2
• Rotatable Bonds: 4