N-[(2-chlorophenyl)methyl]-6-(3-fluorophenyl)-N-methylimidazo[2,1-b][1,3]thiazole-3-carboxamide

• ChemBase ID: 370660
• Molecular Formular: C20H15ClFN3OS
• Molecular Mass: 399.8690032
• Monoisotopic Mass: 399.06083902
• SMILES: n12c(C(=O)N(Cc3c(Cl)cccc3)C)csc1nc(c2)c1cc(F)ccc1
• Canonical SMILES: Fc1cccc(c1)c1nc2n(c1)c(cs2)C(=O)N(Cc1ccccc1Cl)C
• InChI: InChI=1S/C20H15ClFN3OS/c1-24(10-14-5-2-3-8-16(14)21)19(26)18-12-27-20-23-17(11-25(18)20)13-6-4-7-15(22)9-13/h2-9,11-12H,10H2,1H3
• InChIKey: KURUFQJRLQAHFD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(2-chlorophenyl)methyl]-6-(3-fluorophenyl)-N-methylimidazo[2,1-b][1,3]thiazole-3-carboxamide
• IUPAC Traditional name: N-[(2-chlorophenyl)methyl]-6-(3-fluorophenyl)-N-methylimidazo[2,1-b][1,3]thiazole-3-carboxamide
• Synonyms: N-(2-chlorobenzyl)-6-(3-fluorophenyl)-N-methylimidazo[2,1-b][1,3]thiazole-3-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.5139756
• LogD (pH = 7.4): 4.51552
• Log P: 4.5155396
• Molar Refractivity: 116.6597 cm^3
• Polarizability: 40.576015 Å^3
• Polar Surface Area: 37.61 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 4.81
• LOG S: -6.12
• Polar Surface Area: 37.61 Å^2
• Rotatable Bonds: 4