N,2-dimethyl-1,3-thiazole-5-carboxamide

N,2-dimethyl-1,3-thiazole-5-carboxamide bmse011218 - Data

NMR Quality Control Of Fragment Libraries For Screening synonyms

Wikipedia:

Graphical representations:

NMR

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Molecular Formula: C6H8N2OS

Natural Isotopic Abundance Mass: 156.20551999999992

Mono-Isotopic Molecular Masses:

  • C12N14: 156.035733886
  • C13N14: 162.05586291400002
  • C12N15: 158.029803672
  • C13N15: 164.04993270000003

InChI string: InChI=1S/C6H8N2OS/c1-4-8-3-5(10-4)6(9)7-2/h3H,1-2H3,(H,7,9)

wwPDB CCD: K24

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)