N-[3-(3,5-dimethyl-1H-pyrazol-1-yl)propyl]-6-phenylimidazo[2,1-b][1,3]thiazole-3-carboxamide

• ChemBase ID: 352119
• Molecular Formular: C20H21N5OS
• Molecular Mass: 379.47864
• Monoisotopic Mass: 379.14668132
• SMILES: n12c(nc(c2)c2ccccc2)scc1C(=O)NCCCn1nc(cc1C)C
• Canonical SMILES: Cc1nn(c(c1)C)CCCNC(=O)c1csc2n1cc(n2)c1ccccc1
• InChI: InChI=1S/C20H21N5OS/c1-14-11-15(2)25(23-14)10-6-9-21-19(26)18-13-27-20-22-17(12-24(18)20)16-7-4-3-5-8-16/h3-5,7-8,11-13H,6,9-10H2,1-2H3,(H,21,26)
• InChIKey: OXEZOJCEILGMCI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(3,5-dimethyl-1H-pyrazol-1-yl)propyl]-6-phenylimidazo[2,1-b][1,3]thiazole-3-carboxamide
• IUPAC Traditional name: N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-6-phenylimidazo[2,1-b][1,3]thiazole-3-carboxamide
• Synonyms: N-[3-(3,5-dimethyl-1H-pyrazol-1-yl)propyl]-6-phenylimidazo[2,1-b][1,3]thiazole-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.015325
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.4364192
• LogD (pH = 7.4): 2.4410567
• Log P: 2.441116
• Molar Refractivity: 129.7282 cm^3
• Polarizability: 41.212135 Å^3
• Polar Surface Area: 64.22 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 4.24
• LOG S: -7.06
• Polar Surface Area: 64.22 Å^2
• Rotatable Bonds: 6