Studies on free energies of solution and its components of thiazole amine derivatives

► The PCM analysis has been carried out for two thiazole amines in several solvents with wide range of dielectric constants. ► Electrostatic interaction, repulsive energy, cavitation enthalpy, entropy of solvation is computed. ► The dipole moments of the two amine molecules are calculated by AM1, PM3, MNDO and ab initio methods. ► The thermodynamic properties of the systems and dipole moment are discussed in terms of the physical properties.