6-(2-methoxyphenyl)-N-methyl-N-[2-(1-methyl-1H-pyrazol-4-yl)ethyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide

• ChemBase ID: 336141
• Molecular Formular: C20H21N5O2S
• Molecular Mass: 395.47804
• Monoisotopic Mass: 395.14159594
• SMILES: n12c(C(=O)N(CCc3cn(nc3)C)C)csc1nc(c2)c1c(OC)cccc1
• Canonical SMILES: COc1ccccc1c1cn2c(n1)scc2C(=O)N(CCc1cnn(c1)C)C
• InChI: InChI=1S/C20H21N5O2S/c1-23(9-8-14-10-21-24(2)11-14)19(26)17-13-28-20-22-16(12-25(17)20)15-6-4-5-7-18(15)27-3/h4-7,10-13H,8-9H2,1-3H3
• InChIKey: WTXJYPFPZFTUNJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.3262434
• LogD (pH = 7.4): 2.3276255
• Log P: 2.3276432
• Molar Refractivity: 131.7601 cm^3
• Polarizability: 41.975407 Å^3
• Polar Surface Area: 64.66 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 1.43
• LOG S: -5.33
• Polar Surface Area: 64.66 Å^2
• Rotatable Bonds: 5