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

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	3-(1-pyrrolidinyl)-5-(trifluoromethyl)pyridine-2-carbothioamide

ChEBI ID	CHEBI:183680

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C11H12F3N3S

Net Charge

Average Mass

275.290

Monoisotopic Mass

275.07040

InChI

InChI=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)

InChIKey

PQEAKIQHXQYIFC-UHFFFAOYSA-N

SMILES

S=C(N)C=1N=CC(=CC1N2CCCC2)C(F)(F)F

Metabolite of Species	Details
Bombus terrestris (NCBI:txid30195)	Found in hemolymph (BTO:0000572). See: MetaboLights Study
Bombus terrestris (NCBI:txid30195)	Found in hindgut (BTO:0000510). See: MetaboLights Study
Bombus terrestris (NCBI:txid30195)	Found in brain (BTO:0000142). See: MetaboLights Study

Roles Classification
Chemical Role(s):	Bronsted base A molecular entity capable of accepting a hydron from a donor (Bronsted acid). (via organic amino compound )

ChEBI Ontology
Outgoing	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