2-methyl-5-(piperazin-1-ylmethyl)-1,3-thiazole

2-methyl-5-(piperazin-1-ylmethyl)-1,3-thiazole bmse011523 - Data

NMR Quality Control Of Fragment Libraries For Screening synonyms

Wikipedia:

Graphical representations:

NMR

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Molecular Formula: C9H15N3S

Natural Isotopic Abundance Mass: 197.30049999999986

Mono-Isotopic Molecular Masses:

  • C12N14: 197.098668495
  • C13N14: 206.12886203700003
  • C12N15: 200.08977317400002
  • C13N15: 209.11996671600005

InChI string: InChI=1S/C9H15N3S/c1-8-11-6-9(13-8)7-12-4-2-10-3-5-12/h6,10H,2-5,7H2,1H3

wwPDB CCD: NSV

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)