N-[2-(4-ethyl-4H-1,2,4-triazol-3-yl)ethyl]-6-(2-methylphenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide

• ChemBase ID: 683285
• Molecular Formular: C19H20N6OS
• Molecular Mass: 380.4667
• Monoisotopic Mass: 380.14193029
• SMILES: n12c(nc(c2)c2c(C)cccc2)scc1C(=O)NCCc1n(cnn1)CC
• Canonical SMILES: CCn1cnnc1CCNC(=O)c1csc2n1cc(n2)c1ccccc1C
• InChI: InChI=1S/C19H20N6OS/c1-3-24-12-21-23-17(24)8-9-20-18(26)16-11-27-19-22-15(10-25(16)19)14-7-5-4-6-13(14)2/h4-7,10-12H,3,8-9H2,1-2H3,(H,20,26)
• InChIKey: IKFFRXZLHQAEEV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(4-ethyl-4H-1,2,4-triazol-3-yl)ethyl]-6-(2-methylphenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
• IUPAC Traditional name: N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-6-(2-methylphenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
• Synonyms: N-[2-(4-ethyl-4H-1,2,4-triazol-3-yl)ethyl]-6-(2-methylphenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.010603
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.868503
• LogD (pH = 7.4): 1.8702575
• Log P: 1.8702799
• Molar Refractivity: 118.6257 cm^3
• Polarizability: 40.34513 Å^3
• Polar Surface Area: 77.11 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 3.21
• LOG S: -4.71
• Polar Surface Area: 77.11 Å^2
• Rotatable Bonds: 6