[(4S)-4-methylazepan-1-yl]-(1,3-thiazol-4-yl)methanone

[(4S)-4-methylazepan-1-yl]-(1,3-thiazol-4-yl)methanone bmse011563 - Data

NMR Quality Control Of Fragment Libraries For Screening synonyms

Wikipedia:

Graphical representations:

NMR

View large 3D structure

Molecular Formula: C11H16N2OS

Natural Isotopic Abundance Mass: 224.32253999999986

Mono-Isotopic Molecular Masses:

  • C12N14: 224.098334142
  • C13N14: 235.13523736000005
  • C12N15: 226.092403928
  • C13N15: 237.12930714600006

InChI string: InChI=1S/C11H16N2OS/c1-9-3-2-5-13(6-4-9)11(14)10-7-15-8-12-10/h7-9H,2-6H2,1H3/t9-/m0/s1

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)