2-{1-[6-(2,5-dimethylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-ethylformamido}propanamide

• ChemBase ID: 429602
• Molecular Formular: C19H22N4O2S
• Molecular Mass: 370.46858
• Monoisotopic Mass: 370.14634696
• SMILES: c1(n2c(nc(c2)c2c(ccc(c2)C)C)sc1)C(=O)N(C(C(=O)N)C)CC
• Canonical SMILES: CCN(C(=O)c1csc2n1cc(n2)c1cc(C)ccc1C)C(C(=O)N)C
• InChI: InChI=1S/C19H22N4O2S/c1-5-22(13(4)17(20)24)18(25)16-10-26-19-21-15(9-23(16)19)14-8-11(2)6-7-12(14)3/h6-10,13H,5H2,1-4H3,(H2,20,24)
• InChIKey: COEUKSBPLUTSHG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{1-[6-(2,5-dimethylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-ethylformamido}propanamide
• IUPAC Traditional name: 2-{1-[6-(2,5-dimethylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-ethylformamido}propanamide
• Synonyms: N-(2-amino-1-methyl-2-oxoethyl)-6-(2,5-dimethylphenyl)-N-ethylimidazo[2,1-b][1,3]thiazole-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.498769
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.666218
• LogD (pH = 7.4): 2.667756
• Log P: 2.6677756
• Molar Refractivity: 114.2576 cm^3
• Polarizability: 39.708916 Å^3
• Polar Surface Area: 80.7 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.8
• LOG S: -4.29
• Polar Surface Area: 80.7 Å^2
• Rotatable Bonds: 5