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CHEBI:183680 - 3-(1-pyrrolidinyl)-5-(trifluoromethyl)pyridine-2-carbothioamide

ChEBI IDCHEBI:183680
ChEBI Name3-(1-pyrrolidinyl)-5-(trifluoromethyl)pyridine-2-carbothioamide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC11H12F3N3S
Net Charge0
Average Mass275.299
Monoisotopic Mass275.07040
SMILESNC(=S)c1ncc(C(F)(F)F)cc1N1CCCC1
InChIInChI=1S/C11H12F3N3S/c12-11(13,14)7-5-8(17-3-1-2-4-17)9(10(15)18)16-6-7/h5-6H,1-4H2,(H2,15,18)
InChIKeyPQEAKIQHXQYIFC-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Bombus terrestris (ncbitaxon:30195)
brain (BTO:0000142) MetaboLights (MTBLS3637)
hindgut (BTO:0000510) MetaboLights (MTBLS3637)
hemolymph (BTO:0000572) MetaboLights (MTBLS3637)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
3-(1-pyrrolidinyl)-5-(trifluoromethyl)pyridine-2-carbothioamide (CHEBI:183680) is a dialkylarylamine (CHEBI:23665)
3-(1-pyrrolidinyl)-5-(trifluoromethyl)pyridine-2-carbothioamide (CHEBI:183680) is a tertiary amino compound (CHEBI:50996)
IUPAC Name 
3-pyrrolidin-1-yl-5-(triluoromethyl)pyridine-2-carbothioamide
Manual XrefsDatabases
2022062ChemSpider