6-(2-chlorophenyl)-N-[1-(3-methylpyridin-2-yl)propan-2-yl]imidazo[2,1-b][1,3]thiazole-3-carboxamide

• ChemBase ID: 821958
• Molecular Formular: C21H19ClN4OS
• Molecular Mass: 410.91976
• Monoisotopic Mass: 410.09680993
• SMILES: n12c(C(=O)NC(Cc3ncccc3C)C)csc1nc(c2)c1c(Cl)cccc1
• Canonical SMILES: CC(NC(=O)c1csc2n1cc(n2)c1ccccc1Cl)Cc1ncccc1C
• InChI: InChI=1S/C21H19ClN4OS/c1-13-6-5-9-23-17(13)10-14(2)24-20(27)19-12-28-21-25-18(11-26(19)21)15-7-3-4-8-16(15)22/h3-9,11-12,14H,10H2,1-2H3,(H,24,27)
• InChIKey: OTRICZMCVCROMV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.104566
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 4.049265
• LogD (pH = 7.4): 4.1780367
• Log P: 4.1799703
• Molar Refractivity: 123.0269 cm^3
• Polarizability: 43.624977 Å^3
• Polar Surface Area: 59.29 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 4.45
• LOG S: -6.77
• Polar Surface Area: 59.29 Å^2
• Rotatable Bonds: 5