INTRODUCTION: CORROSION INHIBITORS ARE ONE OF THE MOST EFFECTIVE ALTERNATIVES FOR THE PROTECTION OF METALLIC SURFACES AGAINST CORROSION. MANY HETEROCYCLIC COMPOUNDS CONTAINING NITROGEN, SULFUR, AND OXYGEN ATOMS ARE EFFICIENT INHIBITORS OF CORROSION FOR COPPER IN ACIDIC MEDIA [1]. THE CORROSION INHIBITION EFFICIENCY OF VARIOUS THIADIAZOLE COMPOUNDS HAS BEEN INVESTIGATED EXPERIMENTALLY BY SEVERAL RESEARCHERS [2, 3].QUANTUM CHEMICAL CALCULATIONS HAVE BEEN USED RECENTLY TO EXPLAIN THE MECHANISM OF CORROSION INHIBITION AND PROVED TO BE A VERY POWERFUL TOOL FOR STUDYING THE MECHANISM. THE PROPERTY OF CORROSION INHIBITION OF ORGANIC COMPOUNDS IS RELATED TO THEIR MOLECULAR STRUCTURE. THE MOLECULAR STRUCTURE, INCLUDING THE ELECTRONIC PARAMETERS, CAN BE OBTAINED BY MEANS OF THE THEORETICAL CALCULATIONS BY USING THE COMPUTATIONAL METHODOLOGIES OF QUANTUM CHEMISTRY [4]. IN THE PRESENT STUDY, THE INHIBITION EFFECTS OF THREE AMINO THIADIAZOLES, NAMELY 2-AMINO-5-PHENYL-1, 3, 4-THIADIAZOLE (APT), 2-AMINO-5- (4-METHOXYPHENYL) -1, 3, 4-THIADIAZOLE (AMPT) AND 2-AMINO-5- (4-NITROPHENYL) -1, 3, 4-THIADIAZOLE (ANPT) HAVE BEEN INVESTIGATED COMPUTATIONALLY USING DFT AT B3LYP/6-31G* LEVEL OF THEORY. ALSO THE RELATIONSHIP BETWEEN CALCULATED QUANTUM CHEMICAL PARAMETERS SUCH AS THE ENERGIES OF HIGHEST OCCUPIED MOLECULAR ORBITAL (EHOMO) AND THE LOWEST UNOCCUPIED MOLECULAR ORBITAL (ELUMO), THE ENERGY DIFFERENCE (DE) BETWEEN EHOMO AND ELUMO, DIPOLE MOMENT (M) AND EXPERIMENTAL INHIBITION EFFICIENCIES OF THE INHIBITORS WAS DISCUSSED.