2-[(3S)-1-Benzyl-3-pyrrolidinyl]-1,3-benzothiazole (CHEBI:194286)

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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	2-[(3S)-1-Benzyl-3-pyrrolidinyl]-1,3-benzothiazole

ChEBI ID	CHEBI:194286

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C18H18N2S

Net Charge

Average Mass

294.420

Monoisotopic Mass

294.11907

InChI

InChI=1S/C18H18N2S/c1-2-6-14(7-3-1)12-20-11-10-15(13-20)18-19-16-8-4-5-9-17(16)21-18/h1-9,15H,10-13H2/t15-/m0/s1

InChIKey

VIAWQQIRDZIPNF-HNNXBMFYSA-N

SMILES

S1C(=NC=2C1=CC=CC2)[C@]3(CCN(C3)CC4=CC=CC=C4)[H]

Metabolite of Species	Details
Homo sapiens (NCBI:txid9606)	Found in peripheral blood mononuclear cell (BTO:0001025). See: MetaboLights Study

ChEBI Ontology
Outgoing	2-[(3S)-1-Benzyl-3-pyrrolidinyl]-1,3-benzothiazole (CHEBI:194286) is a benzothiazoles (CHEBI:37947)

IUPAC Name

2-[(3S)-1-benzylpyrrolidin-3-yl]-1,3-benzothiazole