1-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazole-3-carbonyl]-2-(methoxymethyl)piperidine

• ChemBase ID: 552593
• Molecular Formular: C19H20ClN3O2S
• Molecular Mass: 389.899
• Monoisotopic Mass: 389.09647558
• SMILES: c1(n2c(nc(c2)c2ccc(cc2)Cl)sc1)C(=O)N1C(COC)CCCC1
• Canonical SMILES: COCC1CCCCN1C(=O)c1csc2n1cc(n2)c1ccc(cc1)Cl
• InChI: InChI=1S/C19H20ClN3O2S/c1-25-11-15-4-2-3-9-22(15)18(24)17-12-26-19-21-16(10-23(17)19)13-5-7-14(20)8-6-13/h5-8,10,12,15H,2-4,9,11H2,1H3
• InChIKey: XOMBPCKRBNESOM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazole-3-carbonyl]-2-(methoxymethyl)piperidine
• IUPAC Traditional name: 1-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazole-3-carbonyl]-2-(methoxymethyl)piperidine
• Synonyms: 6-(4-chlorophenyl)-3-{[2-(methoxymethyl)-1-piperidinyl]carbonyl}imidazo[2,1-b][1,3]thiazole

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.509927
• LogD (pH = 7.4): 3.5115023
• Log P: 3.5115223
• Molar Refractivity: 114.6864 cm^3
• Polarizability: 40.496033 Å^3
• Polar Surface Area: 46.84 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.85
• LOG S: -5.18
• Polar Surface Area: 46.84 Å^2
• Rotatable Bonds: 3