2-(2,5-dioxoimidazolidin-1-yl)-N-{[2-(pyrazin-2-yl)-1,3-thiazol-4-yl]methyl}acetamide

• ChemBase ID: 831857
• Molecular Formular: C13H12N6O3S
• Molecular Mass: 332.33778
• Monoisotopic Mass: 332.06915927
• SMILES: N1(C(=O)NCC1=O)CC(=O)NCc1nc(sc1)c1nccnc1
• Canonical SMILES: O=C(CN1C(=O)CNC1=O)NCc1csc(n1)c1nccnc1
• InChI: InChI=1S/C13H12N6O3S/c20-10(6-19-11(21)5-17-13(19)22)16-3-8-7-23-12(18-8)9-4-14-1-2-15-9/h1-2,4,7H,3,5-6H2,(H,16,20)(H,17,22)
• InChIKey: CDQLFPRLRJJNIM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2,5-dioxoimidazolidin-1-yl)-N-{[2-(pyrazin-2-yl)-1,3-thiazol-4-yl]methyl}acetamide
• IUPAC Traditional name: 2-(2,5-dioxoimidazolidin-1-yl)-N-{[2-(pyrazin-2-yl)-1,3-thiazol-4-yl]methyl}acetamide
• Synonyms: 2-(2,5-dioxo-1-imidazolidinyl)-N-{[2-(2-pyrazinyl)-1,3-thiazol-4-yl]methyl}acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.611671
• H Acceptors: 6
• H Donor: 2
• LogD (pH = 5.5): -1.8918152
• LogD (pH = 7.4): -1.8918403
• Log P: -1.8918141
• Molar Refractivity: 88.4609 cm^3
• Polarizability: 30.725962 Å^3
• Polar Surface Area: 117.18 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 2
• Log P: -1.17
• LOG S: -1.93
• Polar Surface Area: 117.18 Å^2
• Rotatable Bonds: 5