Conformational Equilibria of a Thiadiazole Derivative in Solvents of Different Polarities: an NMR Study

The spatial structure of the 1-[5-(4-methoxyphenylamino)-1,2,4-thiadiazol-3-yl]-propan-2-ol molecule is analyzed by the methods of nuclear magnetic resonance (NMR) spectroscopy and quantum chemical calculations using the density functional theory. The ratio of probable conformers of the compound in chloroform-d1 and dimethylsulfoxide-d6 is found. Conformational inversion of the compound molecules is observed upon changing the solvent.