N-[2-(5-amino-1,3,4-thiadiazol-2-yl)propan-2-yl]-4-methyl-3-(2-oxoimidazolidin-1-yl)benzamide

• ChemBase ID: 472226
• Molecular Formular: C16H20N6O2S
• Molecular Mass: 360.434
• Monoisotopic Mass: 360.13684491
• SMILES: c1(sc(nn1)N)C(NC(=O)c1cc(N2C(=O)NCC2)c(cc1)C)(C)C
• Canonical SMILES: O=C1NCCN1c1cc(ccc1C)C(=O)NC(c1nnc(s1)N)(C)C
• InChI: InChI=1S/C16H20N6O2S/c1-9-4-5-10(8-11(9)22-7-6-18-15(22)24)12(23)19-16(2,3)13-20-21-14(17)25-13/h4-5,8H,6-7H2,1-3H3,(H2,17,21)(H,18,24)(H,19,23)
• InChIKey: OZXFPSRAAYYINZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(5-amino-1,3,4-thiadiazol-2-yl)propan-2-yl]-4-methyl-3-(2-oxoimidazolidin-1-yl)benzamide
• IUPAC Traditional name: N-[2-(5-amino-1,3,4-thiadiazol-2-yl)propan-2-yl]-4-methyl-3-(2-oxoimidazolidin-1-yl)benzamide
• Synonyms: N-[1-(5-amino-1,3,4-thiadiazol-2-yl)-1-methylethyl]-4-methyl-3-(2-oxoimidazolidin-1-yl)benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.018799
• H Acceptors: 5
• H Donor: 3
• LogD (pH = 5.5): 0.81090325
• LogD (pH = 7.4): 0.8109053
• Log P: 0.8109054
• Molar Refractivity: 97.3093 cm^3
• Polarizability: 35.317 Å^3
• Polar Surface Area: 113.24 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 3
• Log P: 0.15
• LOG S: -3.27
• Polar Surface Area: 113.24 Å^2
• Rotatable Bonds: 4