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

• ChemBase ID: 770822
• Molecular Formular: C10H12N4O3S
• Molecular Mass: 268.29228
• Monoisotopic Mass: 268.06301126
• SMILES: N1(C(=O)NCC1=O)CC(=O)NC(c1nccs1)C
• Canonical SMILES: O=C(NC(c1nccs1)C)CN1C(=O)CNC1=O
• InChI: InChI=1S/C10H12N4O3S/c1-6(9-11-2-3-18-9)13-7(15)5-14-8(16)4-12-10(14)17/h2-3,6H,4-5H2,1H3,(H,12,17)(H,13,15)
• InChIKey: SHIDCKXKQFLADP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.389137
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -1.3068006
• LogD (pH = 7.4): -1.3066764
• Log P: -1.3066311
• Molar Refractivity: 62.3882 cm^3
• Polarizability: 24.10741 Å^3
• Polar Surface Area: 91.4 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: -0.74
• LOG S: -1.83
• Polar Surface Area: 91.4 Å^2
• Rotatable Bonds: 4