1-[6-(2-chlorophenyl)imidazo[2,1-b][1,3]thiazole-3-carbonyl]-2-(2-methoxyethyl)piperidine

• ChemBase ID: 472794
• Molecular Formular: C20H22ClN3O2S
• Molecular Mass: 403.92558
• Monoisotopic Mass: 403.11212564
• SMILES: c1(n2c(nc(c2)c2c(Cl)cccc2)sc1)C(=O)N1C(CCOC)CCCC1
• Canonical SMILES: COCCC1CCCCN1C(=O)c1csc2n1cc(n2)c1ccccc1Cl
• InChI: InChI=1S/C20H22ClN3O2S/c1-26-11-9-14-6-4-5-10-23(14)19(25)18-13-27-20-22-17(12-24(18)20)15-7-2-3-8-16(15)21/h2-3,7-8,12-14H,4-6,9-11H2,1H3
• InChIKey: RBVAFVWDWQFRHQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[6-(2-chlorophenyl)imidazo[2,1-b][1,3]thiazole-3-carbonyl]-2-(2-methoxyethyl)piperidine
• IUPAC Traditional name: 1-[6-(2-chlorophenyl)imidazo[2,1-b][1,3]thiazole-3-carbonyl]-2-(2-methoxyethyl)piperidine
• Synonyms: 6-(2-chlorophenyl)-3-{[2-(2-methoxyethyl)-1-piperidinyl]carbonyl}imidazo[2,1-b][1,3]thiazole

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.5700874
• LogD (pH = 7.4): 3.5714645
• Log P: 3.5714822
• Molar Refractivity: 119.5518 cm^3
• Polarizability: 42.34703 Å^3
• Polar Surface Area: 46.84 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.76
• LOG S: -5.4
• Polar Surface Area: 46.84 Å^2
• Rotatable Bonds: 4