N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,2,2-trifluoroacetamide

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,2,2-trifluoroacetamide bmse011356 - Data

NMR Quality Control Of Fragment Libraries For Screening synonyms

Wikipedia:

Graphical representations:

NMR

View large 3D structure

Molecular Formula: C6H6F3N3OS

Natural Isotopic Abundance Mass: 225.19154959999992

Mono-Isotopic Molecular Masses:

  • C12N14: 225.018367487
  • C13N14: 231.03849651500002
  • C12N15: 228.00947216600002
  • C13N15: 234.02960119400004

InChI string: InChI=1S/C6H6F3N3OS/c1-2-3-11-12-5(14-3)10-4(13)6(7,8)9/h2H2,1H3,(H,10,12,13)

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.

InChI string and atom numbering calculated using ALATIS (Hesam Dashti, William M. Westler, John L. Markley, Hamid R. Eghbalnia, "Unique identifiers for small molecules enable rigorous labeling of their atoms", Scientific Data 4, Article number: 170073 (2017), doi:10.1038/sdata.2017.73, https://www.nature.com/articles/sdata201773)