1.0 2010-04-08 22:14:35 UTC 2019-11-26 03:17:52 UTC FDB019784 2,5-Diethylthiazole Component of coffee aroma. 2,5-Diethylthiazole is found in coffee and coffee products. 2,5-Diethyl-1,3-thiazole C7H11NS 141.234 141.061220047 2,5-diethyl-1,3-thiazole 2,5-diethyl-1,3-thiazole 15729-76-7 CCC1=CN=C(CC)S1 InChI=1S/C7H11NS/c1-3-6-5-8-7(4-2)9-6/h5H,3-4H2,1-2H3 PATFUZGQWONVOC-UHFFFAOYSA-N belongs to the class of organic compounds known as 2,5-disubstituted thiazoles. 2,5-disubstituted thiazoles are compounds containing a thiazole ring substituted at positions 2 and 5 only. 2,5-disubstituted thiazoles Organic compounds Organoheterocyclic compounds Azoles Thiazoles Aromatic heteromonocyclic compounds Azacyclic compounds Heteroaromatic compounds Hydrocarbon derivatives Organonitrogen compounds Organopnictogen compounds 2,5-disubstituted 1,3-thiazole Aromatic heteromonocyclic compound Azacycle Heteroaromatic compound Hydrocarbon derivative Organic nitrogen compound Organonitrogen compound Organopnictogen compound logp 3.10 ALOGPS logs -2.33 ALOGPS solubility 6.54e-01 g/l ALOGPS melting_point Mp 104° (as picrate) logp 2.55 ChemAxon pka_strongest_basic 3.96 ChemAxon iupac 2,5-diethyl-1,3-thiazole ChemAxon average_mass 141.234 ChemAxon mono_mass 141.061220047 ChemAxon smiles CCC1=CN=C(CC)S1 ChemAxon formula C7H11NS ChemAxon inchi InChI=1S/C7H11NS/c1-3-6-5-8-7(4-2)9-6/h5H,3-4H2,1-2H3 ChemAxon inchikey PATFUZGQWONVOC-UHFFFAOYSA-N ChemAxon polar_surface_area 12.89 ChemAxon refractivity 39.91 ChemAxon polarizability 16.11 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 12925 Specdb::CMs 161178 Specdb::MsIr 8640 Specdb::MsIr 8641 Specdb::MsMs 294400 Specdb::MsMs 294401 Specdb::MsMs 294402 Specdb::MsMs 335098 Specdb::MsMs 335099 Specdb::MsMs 335100 Specdb::MsMs 2673401 Specdb::MsMs 2673402 Specdb::MsMs 2673403 Specdb::MsMs 3031742 Specdb::MsMs 3031743 Specdb::MsMs 3031744 HMDB40097 #<Reference:0x000055ce32340318> Arabica coffee Type 1 specific Coffea arabica 13443 Coffee and coffee products Unknown generic Robusta coffee Type 1 specific Coffea canephora 49390 meaty musty nutty