3-phenyl-5-[3-(trifluoromethyl)-1H-pyrazol-1-yl]-1,2,4-thiadiazole (CHEBI:183406)

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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-phenyl-5-[3-(trifluoromethyl)-1H-pyrazol-1-yl]-1,2,4-thiadiazole

ChEBI ID	CHEBI:183406

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C12H7F3N4S

Net Charge

Average Mass

296.270

Monoisotopic Mass

296.03435

InChI

InChI=1S/C12H7F3N4S/c13-12(14,15)9-6-7-19(17-9)11-16-10(18-20-11)8-4-2-1-3-5-8/h1-7H

InChIKey

LXCBGVFVAHVDSW-UHFFFAOYSA-N

SMILES

S1N=C(N=C1N2N=C(C=C2)C(F)(F)F)C3=CC=CC=C3

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

ChEBI Ontology
Outgoing	3-phenyl-5-[3-(trifluoromethyl)-1H-pyrazol-1-yl]-1,2,4-thiadiazole (CHEBI:183406) is a benzenes (CHEBI:22712)

IUPAC Name

3-phenyl-5-[3-(triluoromethyl)pyrazol-1-yl]-1,2,4-thiadiazole