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

• ChemBase ID: 552156
• Molecular Formular: C23H22N4O2S
• Molecular Mass: 418.51138
• Monoisotopic Mass: 418.14634696
• SMILES: c1(n2c(nc(c2)c2c(OC)cccc2)sc1)C(=O)N1C(c2ncccc2)CCCC1
• Canonical SMILES: COc1ccccc1c1cn2c(n1)scc2C(=O)N1CCCCC1c1ccccn1
• InChI: InChI=1S/C23H22N4O2S/c1-29-21-11-3-2-8-16(21)18-14-27-20(15-30-23(27)25-18)22(28)26-13-7-5-10-19(26)17-9-4-6-12-24-17/h2-4,6,8-9,11-12,14-15,19H,5,7,10,13H2,1H3
• InChIKey: SWZRLMMHCMWOKR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.5216994
• LogD (pH = 7.4): 3.5370448
• Log P: 3.5372436
• Molar Refractivity: 127.3099 cm^3
• Polarizability: 45.454967 Å^3
• Polar Surface Area: 59.73 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 3.09
• LOG S: -5.63
• Polar Surface Area: 59.73 Å^2
• Rotatable Bonds: 3