A NOVEL COMPUTATIONAL APPROACH TO THE ESTIMATION OF STERIC PARAMETERS .2. EXTENSION TO THIAZOLES

We have extended our new purely computational approach to the estimation of steric parameters, s, intended for QSAR studies, to the consideration of thiazoles, we have combined data for hindered 2- and 4-substituted thiazoles and 2-substituted pyridines to correlate kinetic data for the Menschutkin reaction of all three groups in a single LFER and we have offered an interpretation of the nature of these parameters which permits this success.