(2,5-dimethyl-1,3-thiazol-4-yl)-pyrrolidin-1-ylmethanone

(2,5-dimethyl-1,3-thiazol-4-yl)-pyrrolidin-1-ylmethanone bmse011545 - Data

NMR Quality Control Of Fragment Libraries For Screening synonyms

Wikipedia:

Graphical representations:

NMR

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Molecular Formula: C10H14N2OS

Natural Isotopic Abundance Mass: 210.29595999999987

Mono-Isotopic Molecular Masses:

  • C12N14: 210.082684078
  • C13N14: 220.11623245800004
  • C12N15: 212.076753864
  • C13N15: 222.11030224400005

InChI string: InChI=1S/C10H14N2OS/c1-7-9(11-8(2)14-7)10(13)12-5-3-4-6-12/h3-6H2,1-2H3

wwPDB CCD: K0A

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)