N-{3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl}-3-(2-oxoimidazolidin-1-yl)benzamide

• ChemBase ID: 430359
• Molecular Formular: C16H19N5O2S2
• Molecular Mass: 377.48436
• Monoisotopic Mass: 377.09801687
• SMILES: s1c(nnc1C)SCCCNC(=O)c1cc(N2C(=O)NCC2)ccc1
• Canonical SMILES: O=C1NCCN1c1cccc(c1)C(=O)NCCCSc1nnc(s1)C
• InChI: InChI=1S/C16H19N5O2S2/c1-11-19-20-16(25-11)24-9-3-6-17-14(22)12-4-2-5-13(10-12)21-8-7-18-15(21)23/h2,4-5,10H,3,6-9H2,1H3,(H,17,22)(H,18,23)
• InChIKey: ZVOBIVBHKFEURR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl}-3-(2-oxoimidazolidin-1-yl)benzamide
• IUPAC Traditional name: N-{3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl}-3-(2-oxoimidazolidin-1-yl)benzamide
• Synonyms: N-{3-[(5-methyl-1,3,4-thiadiazol-2-yl)thio]propyl}-3-(2-oxoimidazolidin-1-yl)benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.596992
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.83642215
• LogD (pH = 7.4): 0.83642477
• Log P: 0.8364248
• Molar Refractivity: 100.6241 cm^3
• Polarizability: 37.2413 Å^3
• Polar Surface Area: 87.22 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 0.93
• LOG S: -2.75
• Polar Surface Area: 87.22 Å^2
• Rotatable Bonds: 7