3-cyclopropyl-N-({2,3-dimethylimidazo[2,1-b][1,3]thiazol-6-yl}methyl)-1H-pyrazole-5-carboxamide

• ChemBase ID: 843605
• Molecular Formular: C15H17N5OS
• Molecular Mass: 315.39338
• Monoisotopic Mass: 315.11538119
• SMILES: c12n(c(c(s2)C)C)cc(n1)CNC(=O)c1cc(n[nH]1)C1CC1
• Canonical SMILES: O=C(c1[nH]nc(c1)C1CC1)NCc1cn2c(n1)sc(c2C)C
• InChI: InChI=1S/C15H17N5OS/c1-8-9(2)22-15-17-11(7-20(8)15)6-16-14(21)13-5-12(18-19-13)10-3-4-10/h5,7,10H,3-4,6H2,1-2H3,(H,16,21)(H,18,19)
• InChIKey: GBNLWISUEFUOSK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-cyclopropyl-N-({2,3-dimethylimidazo[2,1-b][1,3]thiazol-6-yl}methyl)-1H-pyrazole-5-carboxamide
• IUPAC Traditional name: 5-cyclopropyl-N-({2,3-dimethylimidazo[2,1-b][1,3]thiazol-6-yl}methyl)-2H-pyrazole-3-carboxamide
• Synonyms: 3-cyclopropyl-N-[(2,3-dimethylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]-1H-pyrazole-5-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.710419
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.6086985
• LogD (pH = 7.4): 1.6516134
• Log P: 1.6542858
• Molar Refractivity: 97.3395 cm^3
• Polarizability: 31.349955 Å^3
• Polar Surface Area: 75.08 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 2.55
• LOG S: -3.68
• Polar Surface Area: 75.08 Å^2
• Rotatable Bonds: 4