3-cyclopentyl-N-(5-methyl-1,3-thiazol-2-yl)propanamide

3-cyclopentyl-N-(5-methyl-1,3-thiazol-2-yl)propanamide bmse011722 - Data

NMR Quality Control Of Fragment Libraries For Screening synonyms

Wikipedia:

Graphical representations:

NMR

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Molecular Formula: C12H18N2OS

Natural Isotopic Abundance Mass: 238.34911999999983

Mono-Isotopic Molecular Masses:

  • C12N14: 238.113984206
  • C13N14: 250.15424226200005
  • C12N15: 240.108053992
  • C13N15: 252.14831204800007

InChI string: InChI=1S/C12H18N2OS/c1-9-8-13-12(16-9)14-11(15)7-6-10-4-2-3-5-10/h8,10H,2-7H2,1H3,(H,13,14,15)

wwPDB CCD: JJ4

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)