2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]acetamide

• ChemBase ID: 531808
• Molecular Formular: C17H18N4O3S
• Molecular Mass: 358.41482
• Monoisotopic Mass: 358.10996146
• SMILES: N1(C(=O)N(C(C1=O)CC(=O)NCc1sc(nc1)c1ccccc1)C)C
• Canonical SMILES: CN1C(=O)N(C(=O)C1CC(=O)NCc1cnc(s1)c1ccccc1)C
• InChI: InChI=1S/C17H18N4O3S/c1-20-13(16(23)21(2)17(20)24)8-14(22)18-9-12-10-19-15(25-12)11-6-4-3-5-7-11/h3-7,10,13H,8-9H2,1-2H3,(H,18,22)
• InChIKey: CHKOCDBZHJGOGU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]acetamide
• IUPAC Traditional name: 2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]acetamide
• Synonyms: 2-(1,3-dimethyl-2,5-dioxo-4-imidazolidinyl)-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.155772
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.8810647
• LogD (pH = 7.4): 0.8812901
• Log P: 0.881293
• Molar Refractivity: 102.7944 cm^3
• Polarizability: 36.05727 Å^3
• Polar Surface Area: 82.61 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.22
• LOG S: -3.31
• Polar Surface Area: 82.61 Å^2
• Rotatable Bonds: 5