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

• ChemBase ID: 864708
• Molecular Formular: C12H16N4O3S
• Molecular Mass: 296.34544
• Monoisotopic Mass: 296.09431139
• SMILES: N1(C(=O)NC(C1=O)(C)C)CC(=O)NCCc1ncsc1
• Canonical SMILES: O=C(CN1C(=O)NC(C1=O)(C)C)NCCc1ncsc1
• InChI: InChI=1S/C12H16N4O3S/c1-12(2)10(18)16(11(19)15-12)5-9(17)13-4-3-8-6-20-7-14-8/h6-7H,3-5H2,1-2H3,(H,13,17)(H,15,19)
• InChIKey: HQIQXCHZRQMFOG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.987182
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.62883735
• LogD (pH = 7.4): -0.6286617
• Log P: -0.628547
• Molar Refractivity: 71.9517 cm^3
• Polarizability: 27.738285 Å^3
• Polar Surface Area: 91.4 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: -0.99
• LOG S: -1.83
• Polar Surface Area: 91.4 Å^2
• Rotatable Bonds: 5