N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide

• ChemBase ID: 324469
• Molecular Formular: C19H18N4OS2
• Molecular Mass: 382.50242
• Monoisotopic Mass: 382.09220322
• SMILES: n12c(C(=O)NC(c3nc(sc3)C)C)csc1nc(c2)c1ccc(cc1)C
• Canonical SMILES: Cc1ccc(cc1)c1nc2n(c1)c(cs2)C(=O)NC(c1csc(n1)C)C
• InChI: InChI=1S/C19H18N4OS2/c1-11-4-6-14(7-5-11)15-8-23-17(10-26-19(23)22-15)18(24)20-12(2)16-9-25-13(3)21-16/h4-10,12H,1-3H3,(H,20,24)
• InChIKey: XZBZPOYYSZRNTB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.930114
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.4881444
• LogD (pH = 7.4): 3.4906006
• Log P: 3.490632
• Molar Refractivity: 115.4038 cm^3
• Polarizability: 40.337784 Å^3
• Polar Surface Area: 59.29 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 4.25
• LOG S: -6.74
• Polar Surface Area: 59.29 Å^2
• Rotatable Bonds: 4