2-(2-methyl-1,3-thiazol-4-yl)-1-morpholin-4-ylethanone

2-(2-methyl-1,3-thiazol-4-yl)-1-morpholin-4-ylethanone bmse011497 - Data

NMR Quality Control Of Fragment Libraries For Screening synonyms

Wikipedia:

Graphical representations:

NMR

View large 3D structure

Molecular Formula: C10H14N2O2S

Natural Isotopic Abundance Mass: 226.29535999999987

Mono-Isotopic Molecular Masses:

  • C12N14: 226.077598698
  • C13N14: 236.11114707800004
  • C12N15: 228.071668484
  • C13N15: 238.10521686400006

InChI string: InChI=1S/C10H14N2O2S/c1-8-11-9(7-15-8)6-10(13)12-2-4-14-5-3-12/h7H,2-6H2,1H3

wwPDB CCD: NY1

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)