Syntheses, characterization and molecular modeling of mixed-ligand complexes of copper(II) and cobalt(II) with monodeprotonated acetazolamide, N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide and N,Nchelating ligands (1,2-propanediamine and 1,2-ethanediamine) are described. The structures of the complexes were optimized by PM6, PM6-DH+ and PM7 semiempirical calculations.