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

• ChemBase ID: 601779
• Molecular Formular: C14H20N4O3S
• Molecular Mass: 324.3986
• Monoisotopic Mass: 324.12561152
• SMILES: C1(=O)NC(=O)C(N1CC(=O)NCCc1nc(c(s1)C)C)(C)C
• Canonical SMILES: O=C(CN1C(=O)NC(=O)C1(C)C)NCCc1sc(c(n1)C)C
• InChI: InChI=1S/C14H20N4O3S/c1-8-9(2)22-11(16-8)5-6-15-10(19)7-18-13(21)17-12(20)14(18,3)4/h5-7H2,1-4H3,(H,15,19)(H,17,20,21)
• InChIKey: BQWIARWTLCOYCH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.144615
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.1391994
• LogD (pH = 7.4): 0.1395915
• Log P: 0.14037855
• Molar Refractivity: 81.4487 cm^3
• Polarizability: 31.228943 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: 0.86
• LOG S: -2.3
• Polar Surface Area: 91.4 Å^2
• Rotatable Bonds: 5