ethyl 2-(pyridin-4-ylamino)-1,3-thiazole-4-carboxylate (CHEBI:228729)

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CHEBI:228729 - ethyl 2-(pyridin-4-ylamino)-1,3-thiazole-4-carboxylate

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ChEBI ID	CHEBI:228729
ChEBI Name	ethyl 2-(pyridin-4-ylamino)-1,3-thiazole-4-carboxylate
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C11H11N3O2S
Net Charge	0
Average Mass	249.295
Monoisotopic Mass	249.05720
SMILES	CCOC(=O)c1csc(Nc2ccncc2)n1
InChI	InChI=1S/C11H11N3O2S/c1-2-16-10(15)9-7-17-11(14-9)13-8-3-5-12-6-4-8/h3-7H,2H2,1H3,(H,12,13,14)
InChIKey	UIMHAGZRGWCTHY-UHFFFAOYSA-N

Species of Metabolite	Component	Source	Comments
Homo sapiens (ncbitaxon:9606)	urine (BTO:0001419)	MetaboLights (MTBLS8662)

Roles Classification

Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base).

ChEBI Ontology

Outgoing Relation(s)
	ethyl 2-(pyridin-4-ylamino)-1,3-thiazole-4-carboxylate (CHEBI:228729) is a aromatic carboxylic acid (CHEBI:33859)
	ethyl 2-(pyridin-4-ylamino)-1,3-thiazole-4-carboxylate (CHEBI:228729) is a thiazoles (CHEBI:48901)

IUPAC Name
ethyl 2-(pyridin-4-ylamino)-1,3-thiazole-4-carboxylate

Manual Xrefs	Databases
2023616	ChemSpider