THEORETICAL-STUDY ON GUANIDINOTHIAZOLE DE RIVATIVES

A conformational and electronic study using semi-empirical MNDO-AMI ca lculations on tiotidine and its rigid analogues was carried out. For t he calculations, all the possible configurational isomers respect to t he cyanoguanidine group were taken into account. It was possible to de fine an <<active>> conformation with respect to the flexible geometry of tiotidine. A comparative analysis between imidazole and guanidinoth iazole derivatives acting as H-2-ligands suggestes that guanidinothiaz ole system could introduce structural advantages with respect to the i midazole group.