CHEBI:107685 - 1-[2,5-dimethyl-1-(2-oxolanylmethyl)-3-pyrrolyl]-2-[[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]thio]ethanone

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name 1-[2,5-dimethyl-1-(2-oxolanylmethyl)-3-pyrrolyl]-2-[[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]thio]ethanone ChEBI ID CHEBI:107685 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C22H26N4O3S2 Net Charge 0 Average Mass 458.600 Monoisotopic Mass 458.14463 InChI InChI=1S/C22H26N4O3S2/c1-14-11-19(15(2)26(14)12-18-5-4-10-29-18)20(27)13-30-22-25-24-21(31-22)23-16-6-8-17(28-3)9-7-16/h6-9,11,18H,4-5,10,12-13H2,1-3H3,(H,23,24) InChIKey XGRVTGGGERDOOZ-UHFFFAOYSA-N SMILES CC1=CC(=C(N1CC2CCCO2)C)C(=O)CSC3=NN=C(S3)NC4=CC=C(C=C4)OC Roles Classification Chemical Role(s): Bronsted base A molecular entity capable of accepting a hydron from a donor (Bronsted acid). (via organic amino compound ) View more via ChEBI Ontology ChEBI Ontology Outgoing 1-[2,5-dimethyl-1-(2-oxolanylmethyl)-3-pyrrolyl]-2-[[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]thio]ethanone (CHEBI:107685) is a methoxybenzenes (CHEBI:51683) 1-[2,5-dimethyl-1-(2-oxolanylmethyl)-3-pyrrolyl]-2-[[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]thio]ethanone (CHEBI:107685) is a substituted aniline (CHEBI:48975) Manual Xref Database LSM-19064 LINCS View more database links