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

• ChemBase ID: 682696
• Molecular Formular: C15H13N5OS2
• Molecular Mass: 343.42662
• Monoisotopic Mass: 343.05615206
• SMILES: c1(n2c(nc1C)scc2)C(=O)NCc1c(c2sccc2)[nH]nc1
• Canonical SMILES: O=C(c1c(C)nc2n1ccs2)NCc1cn[nH]c1c1cccs1
• InChI: InChI=1S/C15H13N5OS2/c1-9-13(20-4-6-23-15(20)18-9)14(21)16-7-10-8-17-19-12(10)11-3-2-5-22-11/h2-6,8H,7H2,1H3,(H,16,21)(H,17,19)
• InChIKey: UUDZYFRMNTUSLV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.562218
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.2910272
• LogD (pH = 7.4): 1.2890526
• Log P: 1.29197
• Molar Refractivity: 102.1601 cm^3
• Polarizability: 34.455765 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: 2.69
• LOG S: -4.0
• Polar Surface Area: 75.08 Å^2
• Rotatable Bonds: 4