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

• ChemBase ID: 576582
• Molecular Formular: C13H18N4O3S
• Molecular Mass: 310.37202
• Monoisotopic Mass: 310.10996146
• SMILES: N1(C(=O)NCC1=O)CC(=O)NCCCc1nc(c(s1)C)C
• Canonical SMILES: O=C(CN1C(=O)CNC1=O)NCCCc1sc(c(n1)C)C
• InChI: InChI=1S/C13H18N4O3S/c1-8-9(2)21-11(16-8)4-3-5-14-10(18)7-17-12(19)6-15-13(17)20/h3-7H2,1-2H3,(H,14,18)(H,15,20)
• InChIKey: KDIBOUCUOJMNTB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.913072
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.5737277
• LogD (pH = 7.4): -0.5725191
• Log P: -0.5724904
• Molar Refractivity: 76.9965 cm^3
• Polarizability: 29.406713 Å^3
• Polar Surface Area: 91.4 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: -0.08
• LOG S: -2.71
• Polar Surface Area: 91.4 Å^2
• Rotatable Bonds: 6