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

• ChemBase ID: 674757
• Molecular Formular: C19H19N5O2S
• Molecular Mass: 381.45146
• Monoisotopic Mass: 381.12594587
• SMILES: n12c(nc(c2)c2c(OC)cccc2)scc1C(=O)NCc1c([nH]nc1C)C
• Canonical SMILES: COc1ccccc1c1nc2n(c1)c(cs2)C(=O)NCc1c(C)n[nH]c1C
• InChI: InChI=1S/C19H19N5O2S/c1-11-14(12(2)23-22-11)8-20-18(25)16-10-27-19-21-15(9-24(16)19)13-6-4-5-7-17(13)26-3/h4-7,9-10H,8H2,1-3H3,(H,20,25)(H,22,23)
• InChIKey: BPASYJPKTHQMCG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.380576
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 2.0184188
• LogD (pH = 7.4): 2.0225089
• Log P: 2.0225613
• Molar Refractivity: 116.6336 cm^3
• Polarizability: 40.05762 Å^3
• Polar Surface Area: 84.31 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 3.51
• LOG S: -4.98
• Polar Surface Area: 84.31 Å^2
• Rotatable Bonds: 5