N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]-6-phenylimidazo[2,1-b][1,3]thiazole-3-carboxamide

• ChemBase ID: 381374
• Molecular Formular: C19H18N4OS2
• Molecular Mass: 382.50242
• Monoisotopic Mass: 382.09220322
• SMILES: n12c(nc(c2)c2ccccc2)scc1C(=O)NCCCc1c(ncs1)C
• Canonical SMILES: O=C(c1csc2n1cc(n2)c1ccccc1)NCCCc1scnc1C
• InChI: InChI=1S/C19H18N4OS2/c1-13-17(26-12-21-13)8-5-9-20-18(24)16-11-25-19-22-15(10-23(16)19)14-6-3-2-4-7-14/h2-4,6-7,10-12H,5,8-9H2,1H3,(H,20,24)
• InChIKey: JTVYPIWCNNWXMA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]-6-phenylimidazo[2,1-b][1,3]thiazole-3-carboxamide
• IUPAC Traditional name: N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]-6-phenylimidazo[2,1-b][1,3]thiazole-3-carboxamide
• Synonyms: N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]-6-phenylimidazo[2,1-b][1,3]thiazole-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.015985
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.1989748
• LogD (pH = 7.4): 3.2009244
• Log P: 3.2009492
• Molar Refractivity: 115.8358 cm^3
• Polarizability: 40.415337 Å^3
• Polar Surface Area: 59.29 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 3.9
• LOG S: -6.52
• Polar Surface Area: 59.29 Å^2
• Rotatable Bonds: 6