BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules 		Member of WWPDB

1-methyl-3-(1,3-thiazol-2-ylmethyl)urea

1-methyl-3-(1,3-thiazol-2-ylmethyl)urea bmse012251 - Data

1-methyl-3-(1,3-thiazol-2-ylmethyl)urea synonyms

Wikipedia:

Graphical representations:

1-methyl-3-(1,3-thiazol-2-ylmethyl)urea

View large 3D structure

Molecular Formula: C6H9N3OS

Natural Isotopic Abundance Mass: 171.22016

Mono-Isotopic Molecular Masses:

  • C12N14: 171.046632923
  • C13N14: 177.06676195100002
  • C12N15: 174.03773760200002
  • C13N15: 180.05786663000004

InChI string: InChI=1S/C6H9N3OS/c1-7-6(10)9-4-5-8-2-3-11-5/h2-3H,4H2,1H3,(H2,7,9,10)

EU-OPENSCREEN: EOS102991

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)