N-(4-methyl-1,3-thiazol-2-yl)propanamide

N-(4-methyl-1,3-thiazol-2-yl)propanamide bmse011077 - Data

NMR Quality Control Of Fragment Libraries For Screening synonyms

Wikipedia:

Graphical representations:

NMR

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Molecular Formula: C7H10N2OS

Natural Isotopic Abundance Mass: 170.2320999999999

Mono-Isotopic Molecular Masses:

  • C12N14: 170.05138395
  • C13N14: 177.07486781600002
  • C12N15: 172.045453736
  • C13N15: 179.06893760200003

InChI string: InChI=1S/C7H10N2OS/c1-3-6(10)9-7-8-5(2)4-11-7/h4H,3H2,1-2H3,(H,8,9,10)

wwPDB CCD: JFP

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)