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Propeller-shaped molecules with 2,4,5-trisubstituted-1,3-thiazole as the hub and tunable blades IJB 1 -B 3 )were synthesized as trivariant scaffolds. B 1 -B 3 were modulated by varying the hydrazone capping in B 1 , the isothiocyanate in B 2 and the α-haloketone in B 3 and the structural landscapes examined. Multicomponent molecular crystals formed nitrogen rich channels (NRCs) of varied shapes and dimensions which were largely steered by the substitution pattern in B 1 and established by varying carbonyl components. Isopropylidene derivatives (IPHAT) stabilized single file water inside the NRC (~34 Å 2 ) between B 1 and B 2 , benzylidene derivatives (BzHAT) formed a constricted NRC and accommodated solvates inside a hydrophobic cavity between B 1 and B 3 whereas a pincer-shaped NRC devoid of guest molecules was formed by cyclohexylidene derivatives (CyHAT). The hydrazone substituent-driven variation in solid state landscapes indicates a wide scope of expandability of these thiazole templates as supramolecular synthons for tunable hosts. Results and discussionThe impetus for the design of 4-alkylidene/arylidenehydrazino-5-IJsubstituted)aroyl-2-IJsubstituted)amino-1,3-thiazole (Fig. 2) stems from the likely vast diversity multiplication and scaffold enrichment by varying carbonyl components, isothiocyanate or active methylene units, thus making a trivariant system (Table 1). Furthermore, the parent scaffold encompasses a range of donor-acceptor groups with imbalances in their numbers, thus it is amenable to intra-and intermolecular interactions, and the formation of multicomponent crystals (hydrates/solvates) 34,35 was also predicted. Geometry optimization (6-31G basis set, Gaussian 09 program) indicated (Fig. S1 †) that the molecules adopt a propeller shape with a thiazole hub encased by three blades 5978 | CrystEngComm, 2015, 17, 5978-5986This journal is

Discovery. -An efficient four-component stepwise protocol is developed to synthesize the title compounds (V). Acylation followed by deprotection of the hydrazono side chain is also demonstrated. -(TITUS, S.; SREEJALEKSHMI*, K. G.; Tetrahedron Lett. 55 (2014) 40, 5465-5467, http://dx.