2-(2,5-dioxoimidazolidin-1-yl)-N-{[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl}acetamide

• ChemBase ID: 535977
• Molecular Formular: C16H16N4O4S
• Molecular Mass: 360.38764
• Monoisotopic Mass: 360.08922601
• SMILES: N1(C(=O)NCC1=O)CC(=O)NCc1sc(nc1)c1cc(OC)ccc1
• Canonical SMILES: COc1cccc(c1)c1ncc(s1)CNC(=O)CN1C(=O)CNC1=O
• InChI: InChI=1S/C16H16N4O4S/c1-24-11-4-2-3-10(5-11)15-18-7-12(25-15)6-17-13(21)9-20-14(22)8-19-16(20)23/h2-5,7H,6,8-9H2,1H3,(H,17,21)(H,19,23)
• InChIKey: FTGMKAAQHFDTMV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.713318
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 0.05077058
• LogD (pH = 7.4): 0.050953228
• Log P: 0.05097666
• Molar Refractivity: 99.9162 cm^3
• Polarizability: 34.94425 Å^3
• Polar Surface Area: 100.63 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: 0.66
• LOG S: -2.39
• Polar Surface Area: 100.63 Å^2
• Rotatable Bonds: 6