3-[({1-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-3-carbonyl]piperidin-4-yl}oxy)methyl]pyridine

• ChemBase ID: 846393
• Molecular Formular: C24H24N4O3S
• Molecular Mass: 448.53736
• Monoisotopic Mass: 448.15691165
• SMILES: n12c(C(=O)N3CCC(CC3)OCc3cnccc3)csc1nc(c2)c1cc(OC)ccc1
• Canonical SMILES: COc1cccc(c1)c1cn2c(n1)scc2C(=O)N1CCC(CC1)OCc1cccnc1
• InChI: InChI=1S/C24H24N4O3S/c1-30-20-6-2-5-18(12-20)21-14-28-22(16-32-24(28)26-21)23(29)27-10-7-19(8-11-27)31-15-17-4-3-9-25-13-17/h2-6,9,12-14,16,19H,7-8,10-11,15H2,1H3
• InChIKey: CESOFCPYUYMDNN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[({1-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-3-carbonyl]piperidin-4-yl}oxy)methyl]pyridine
• IUPAC Traditional name: 3-[({1-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-3-carbonyl]piperidin-4-yl}oxy)methyl]pyridine
• Synonyms: 6-(3-methoxyphenyl)-3-{[4-(3-pyridinylmethoxy)-1-piperidinyl]carbonyl}imidazo[2,1-b][1,3]thiazole

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 2.2929115
• LogD (pH = 7.4): 2.3537903
• Log P: 2.3546355
• Molar Refractivity: 134.4203 cm^3
• Polarizability: 47.98681 Å^3
• Polar Surface Area: 68.96 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 2.07
• LOG S: -5.3
• Polar Surface Area: 68.96 Å^2
• Rotatable Bonds: 5