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

• ChemBase ID: 340117
• Molecular Formular: C20H17ClN4OS
• Molecular Mass: 396.89318
• Monoisotopic Mass: 396.08115986
• SMILES: n12c(C(=O)N(CCc3ncccc3)C)csc1nc(c2)c1ccc(cc1)Cl
• Canonical SMILES: Clc1ccc(cc1)c1cn2c(n1)scc2C(=O)N(CCc1ccccn1)C
• InChI: InChI=1S/C20H17ClN4OS/c1-24(11-9-16-4-2-3-10-22-16)19(26)18-13-27-20-23-17(12-25(18)20)14-5-7-15(21)8-6-14/h2-8,10,12-13H,9,11H2,1H3
• InChIKey: QWYLAAAZHWLCIF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.428072
• LogD (pH = 7.4): 3.4730453
• Log P: 3.47365
• Molar Refractivity: 118.4636 cm^3
• Polarizability: 41.84741 Å^3
• Polar Surface Area: 50.5 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: 3.08
• LOG S: -6.21
• Polar Surface Area: 50.5 Å^2
• Rotatable Bonds: 5