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

• ChemBase ID: 707979
• Molecular Formular: C16H19N5O2S
• Molecular Mass: 345.41936
• Monoisotopic Mass: 345.12594587
• SMILES: N1(C(=O)NCC1)c1cc(C(=O)N(Cc2c(nns2)C)C)ccc1C
• Canonical SMILES: O=C1NCCN1c1cc(ccc1C)C(=O)N(Cc1snnc1C)C
• InChI: InChI=1S/C16H19N5O2S/c1-10-4-5-12(8-13(10)21-7-6-17-16(21)23)15(22)20(3)9-14-11(2)18-19-24-14/h4-5,8H,6-7,9H2,1-3H3,(H,17,23)
• InChIKey: RXYLHUJDFJSMLG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,4-dimethyl-N-[(4-methyl-1,2,3-thiadiazol-5-yl)methyl]-3-(2-oxoimidazolidin-1-yl)benzamide
• IUPAC Traditional name: N,4-dimethyl-N-[(4-methyl-1,2,3-thiadiazol-5-yl)methyl]-3-(2-oxoimidazolidin-1-yl)benzamide
• Synonyms: N,4-dimethyl-N-[(4-methyl-1,2,3-thiadiazol-5-yl)methyl]-3-(2-oxo-1-imidazolidinyl)benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.584643
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.182061
• LogD (pH = 7.4): 1.1820619
• Log P: 1.182062
• Molar Refractivity: 92.8405 cm^3
• Polarizability: 34.09578 Å^3
• Polar Surface Area: 78.43 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.07
• LOG S: -3.09
• Polar Surface Area: 78.43 Å^2
• Rotatable Bonds: 4