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

• ChemBase ID: 709663
• Molecular Formular: C11H14N4O3S2
• Molecular Mass: 314.38386
• Monoisotopic Mass: 314.05073233
• SMILES: N1(C(=O)NCC1=O)CC(=O)NCc1nc(sc1)CSC
• Canonical SMILES: CSCc1scc(n1)CNC(=O)CN1C(=O)CNC1=O
• InChI: InChI=1S/C11H14N4O3S2/c1-19-6-9-14-7(5-20-9)2-12-8(16)4-15-10(17)3-13-11(15)18/h5H,2-4,6H2,1H3,(H,12,16)(H,13,18)
• InChIKey: WFBMKJNKNJZYMQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.251183
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -1.1305012
• LogD (pH = 7.4): -1.1305115
• Log P: -1.1304505
• Molar Refractivity: 74.966 cm^3
• Polarizability: 28.98171 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: -1.0
• LOG S: -1.95
• Polar Surface Area: 91.4 Å^2
• Rotatable Bonds: 6