N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]acetamide

N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]acetamide bmse011438 - Data

NMR Quality Control Of Fragment Libraries For Screening synonyms

Wikipedia:

Graphical representations:

NMR

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Molecular Formula: C11H11N3OS

Natural Isotopic Abundance Mass: 233.2895399999999

Mono-Isotopic Molecular Masses:

  • C12N14: 233.062282987
  • C13N14: 244.09918620500005
  • C12N15: 236.05338766600002
  • C13N15: 247.09029088400007

InChI string: InChI=1S/C11H11N3OS/c1-7(15)13-9-4-2-8(3-5-9)10-6-16-11(12)14-10/h2-6H,1H3,(H2,12,14)(H,13,15)

wwPDB CCD: O0J

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)