CHEBI:107256 - 3-[4-[4-oxo-5-(thiophen-2-ylmethylidene)-2-thiazolyl]-1-piperazinyl]propanenitrile

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ChEBI Name 3-[4-[4-oxo-5-(thiophen-2-ylmethylidene)-2-thiazolyl]-1-piperazinyl]propanenitrile
ChEBI ID CHEBI:107256
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C15H16N4OS2
Net Charge 0
Average Mass 332.446
Monoisotopic Mass 332.07655
InChI InChI=1S/C15H16N4OS2/c16-4-2-5-18-6-8-19(9-7-18)15-17-14(20)13(22-15)11-12-3-1-10-21-12/h1,3,10-11H,2,5-9H2
InChIKey KOPHRAJFSWLCSC-UHFFFAOYSA-N
SMILES C1CN(CCN1CCC#N)C2=NC(=O)C(=CC3=CC=CS3)S2
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
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ChEBI Ontology
Outgoing 3-[4-[4-oxo-5-(thiophen-2-ylmethylidene)-2-thiazolyl]-1-piperazinyl]propanenitrile (CHEBI:107256) is a N-alkylpiperazine (CHEBI:46845)
Manual Xref Database
LSM-18610 LINCS
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