N-(5-propyl-1,3,4-thiadiazol-2-yl)pyridine-2-carboxamide

N-(5-propyl-1,3,4-thiadiazol-2-yl)pyridine-2-carboxamide bmse011130 - Data

NMR Quality Control Of Fragment Libraries For Screening synonyms

Wikipedia:

Graphical representations:

NMR

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Molecular Formula: C11H12N4OS

Natural Isotopic Abundance Mass: 248.3041799999999

Mono-Isotopic Molecular Masses:

  • C12N14: 248.073182024
  • C13N14: 259.11008524200014
  • C12N15: 252.06132159600003
  • C13N15: 263.0982248140003

InChI string: InChI=1S/C11H12N4OS/c1-2-5-9-14-15-11(17-9)13-10(16)8-6-3-4-7-12-8/h3-4,6-7H,2,5H2,1H3,(H,13,15,16)

wwPDB CCD: K0S

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)