1H, 13C, and 15N NMR conformational characterization of a series of 2-acetylthiazolethiosemicarbazone compounds

A series of new 2-acetylthiazolethiosemicarbazone molecules belonging to a family of pharmaceutically relevant molecules was synthesized and characterized. These molecules showed atropisomeric properties and occupied two distinct conformations at room temperature. Each of these configurations was characterized by NMR and identified as both internally hydrogen bonded and non-hydrogen bonded forms. The knowledge of these two forms and their identities may be of use to those seeking to employ this family of molecules in a pharmaceutical context.