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

• ChemBase ID: 470471
• Molecular Formular: C15H15N5O3S
• Molecular Mass: 345.3763
• Monoisotopic Mass: 345.08956037
• SMILES: N1(C(=O)NCC1=O)CC(=O)Nc1sc(nn1)Cc1c(C)cccc1
• Canonical SMILES: O=C(CN1C(=O)CNC1=O)Nc1nnc(s1)Cc1ccccc1C
• InChI: InChI=1S/C15H15N5O3S/c1-9-4-2-3-5-10(9)6-12-18-19-14(24-12)17-11(21)8-20-13(22)7-16-15(20)23/h2-5H,6-8H2,1H3,(H,16,23)(H,17,19,21)
• InChIKey: FVROEAKWGJEWBG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2,5-dioxoimidazolidin-1-yl)-N-{5-[(2-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl}acetamide
• IUPAC Traditional name: 2-(2,5-dioxoimidazolidin-1-yl)-N-{5-[(2-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl}acetamide
• Synonyms: 2-(2,5-dioxoimidazolidin-1-yl)-N-[5-(2-methylbenzyl)-1,3,4-thiadiazol-2-yl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.187352
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 0.6158536
• LogD (pH = 7.4): 0.6151847
• Log P: 0.61586285
• Molar Refractivity: 89.313 cm^3
• Polarizability: 32.612354 Å^3
• Polar Surface Area: 104.29 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: -0.24
• LOG S: -2.82
• Polar Surface Area: 104.29 Å^2
• Rotatable Bonds: 5