2-methyl-5-piperidin-1-yl-1,3,4-thiadiazole

2-methyl-5-piperidin-1-yl-1,3,4-thiadiazole bmse011513 - Data

NMR Quality Control Of Fragment Libraries For Screening synonyms

Wikipedia:

Graphical representations:

NMR

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Molecular Formula: C8H13N3S

Natural Isotopic Abundance Mass: 183.27391999999986

Mono-Isotopic Molecular Masses:

  • C12N14: 183.083018431
  • C13N14: 191.10985713500003
  • C12N15: 186.07412311000002
  • C13N15: 194.10096181400004

InChI string: InChI=1S/C8H13N3S/c1-7-9-10-8(12-7)11-5-3-2-4-6-11/h2-6H2,1H3

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)