N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]acetamide

N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]acetamide bmse011039 - Data

NMR Quality Control Of Fragment Libraries For Screening synonyms

Wikipedia:

Graphical representations:

NMR

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Molecular Formula: C13H14N2OS

Natural Isotopic Abundance Mass: 246.32805999999985

Mono-Isotopic Molecular Masses:

  • C12N14: 246.082684078
  • C13N14: 259.12629697200015
  • C12N15: 248.076753864
  • C13N15: 261.1203667580002

InChI string: InChI=1S/C13H14N2OS/c1-9-4-3-5-11(6-9)7-12-8-14-13(17-12)15-10(2)16/h3-6,8H,7H2,1-2H3,(H,14,15,16)

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)