6-(2-chlorophenyl)-N-methyl-N-[2-(oxan-4-yl)ethyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide

• ChemBase ID: 503453
• Molecular Formular: C20H22ClN3O2S
• Molecular Mass: 403.92558
• Monoisotopic Mass: 403.11212564
• SMILES: n12c(C(=O)N(CCC3CCOCC3)C)csc1nc(c2)c1c(Cl)cccc1
• Canonical SMILES: CN(C(=O)c1csc2n1cc(n2)c1ccccc1Cl)CCC1CCOCC1
• InChI: InChI=1S/C20H22ClN3O2S/c1-23(9-6-14-7-10-26-11-8-14)19(25)18-13-27-20-22-17(12-24(18)20)15-4-2-3-5-16(15)21/h2-5,12-14H,6-11H2,1H3
• InChIKey: XWJTZFCEXVJJAX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(2-chlorophenyl)-N-methyl-N-[2-(oxan-4-yl)ethyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide
• IUPAC Traditional name: 6-(2-chlorophenyl)-N-methyl-N-[2-(oxan-4-yl)ethyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide
• Synonyms: 6-(2-chlorophenyl)-N-methyl-N-[2-(tetrahydro-2H-pyran-4-yl)ethyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.4353628
• LogD (pH = 7.4): 3.4367487
• Log P: 3.4367664
• Molar Refractivity: 119.8022 cm^3
• Polarizability: 42.34705 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: 3.01
• LOG S: -5.4
• Polar Surface Area: 46.84 Å^2
• Rotatable Bonds: 5