1,4-diazepan-1-yl-(4-methyl-1,3-thiazol-5-yl)methanone;dihydrochloride

1,4-diazepan-1-yl-(4-methyl-1,3-thiazol-5-yl)methanone;dihydrochloride bmse011172 - Data

NMR Quality Control Of Fragment Libraries For Screening synonyms

Wikipedia:

Graphical representations:

NMR

View large 3D structure

Molecular Formula: C10H17Cl2N3OS

Natural Isotopic Abundance Mass: 298.23247999999995

Mono-Isotopic Molecular Masses:

  • C12N14: 297.04693853900005
  • C13N14: 307.08048691900007
  • C12N15: 300.03804321800004
  • C13N15: 310.0715915980001

InChI string: InChI=1S/C10H15N3OS.2ClH/c1-8-9(15-7-12-8)10(14)13-5-2-3-11-4-6-13;;/h7,11H,2-6H2,1H3;2*1H

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)