N-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-6-(2,5-dimethylphenyl)-N-methylimidazo[2,1-b][1,3]thiazole-3-carboxamide

• ChemBase ID: 535520
• Molecular Formular: C21H23N5OS
• Molecular Mass: 393.50522
• Monoisotopic Mass: 393.16233138
• SMILES: n12c(C(=O)N(Cc3c(nn(c3)C)C)C)csc1nc(c2)c1c(ccc(c1)C)C
• Canonical SMILES: Cc1ccc(c(c1)c1nc2n(c1)c(cs2)C(=O)N(Cc1cn(nc1C)C)C)C
• InChI: InChI=1S/C21H23N5OS/c1-13-6-7-14(2)17(8-13)18-11-26-19(12-28-21(26)22-18)20(27)24(4)9-16-10-25(5)23-15(16)3/h6-8,10-12H,9H2,1-5H3
• InChIKey: NICAKLVTZMRSGB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-6-(2,5-dimethylphenyl)-N-methylimidazo[2,1-b][1,3]thiazole-3-carboxamide
• IUPAC Traditional name: 6-(2,5-dimethylphenyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methylimidazo[2,1-b][1,3]thiazole-3-carboxamide
• Synonyms: 6-(2,5-dimethylphenyl)-N-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-N-methylimidazo[2,1-b][1,3]thiazole-3-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.352587
• LogD (pH = 7.4): 3.3548374
• Log P: 3.354866
• Molar Refractivity: 135.2158 cm^3
• Polarizability: 42.89316 Å^3
• Polar Surface Area: 55.43 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 3.22
• LOG S: -6.36
• Polar Surface Area: 55.43 Å^2
• Rotatable Bonds: 4