4-propan-2-yl-N-(1,3,4-thiadiazol-2-yl)benzamide

4-propan-2-yl-N-(1,3,4-thiadiazol-2-yl)benzamide bmse011331 - Data

NMR Quality Control Of Fragment Libraries For Screening synonyms

Wikipedia:

Graphical representations:

NMR

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Molecular Formula: C12H13N3OS

Natural Isotopic Abundance Mass: 247.31611999999987

Mono-Isotopic Molecular Masses:

  • C12N14: 247.077933051
  • C13N14: 259.11819110700014
  • C12N15: 250.06903773000002
  • C13N15: 262.10929578600025

InChI string: InChI=1S/C12H13N3OS/c1-8(2)9-3-5-10(6-4-9)11(16)14-12-15-13-7-17-12/h3-8H,1-2H3,(H,14,15,16)

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)