CHEBI:145418 - (2-{[(4-aminophenyl)sulfonyl]amino}-1,3-thiazol-5-yl)acetic acid

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ChEBI Name (2-{[(4-aminophenyl)sulfonyl]amino}-1,3-thiazol-5-yl)acetic acid
ChEBI ID CHEBI:145418
Definition A sulfonamide consisting of 1,3-thiazol-5-ylacetic acid with a 4-aminobenzenesulfonamido group at the thiazole 2-position.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C11H11N3O4S2
Net Charge 0
Average Mass 313.350
Monoisotopic Mass 313.01910
InChI InChI=1S/C11H11N3O4S2/c12-7-1-3-9(4-2-7)20(17,18)14-11-13-6-8(19-11)5-10(15)16/h1-4,6H,5,12H2,(H,13,14)(H,15,16)
InChIKey NYMIDEKPLFFDQW-UHFFFAOYSA-N
SMILES NC1=CC=C(C=C1)S(=O)(=O)NC=2SC(=CN2)CC(=O)O
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Biological Role(s): hapten
Any substance capable of eliciting an immune response only when attached to a large carrier such as a protein. Examples include dinitrophenols; oligosaccharides; peptides; and heavy metals.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing (2-{[(4-aminophenyl)sulfonyl]amino}-1,3-thiazol-5-yl)acetic acid (CHEBI:145418) has role hapten (CHEBI:59174)
(2-{[(4-aminophenyl)sulfonyl]amino}-1,3-thiazol-5-yl)acetic acid (CHEBI:145418) is a monocarboxylic acid (CHEBI:25384)
(2-{[(4-aminophenyl)sulfonyl]amino}-1,3-thiazol-5-yl)acetic acid (CHEBI:145418) is a sulfonamide (CHEBI:35358)
IUPAC Name
{2-[(4-aminobenzene-1-sulfonyl)amino]-1,3-thiazol-5-yl}acetic acid
Synonym Source
2-[2-[(4-aminophenyl)sulfonylamino]-1,3-thiazol-5-yl]acetic acid ChEBI
Citation Waiting for Citations Type Source
30580515 PubMed citation Europe PMC
Last Modified
19 November 2019
General Comment
2019-11-19 The structure shown for this compound in the Supporting Information for PMID:30580515 is wrong, as it shows 1,3-thiazol-4-yl instead of 1,3-thiazol-5-yl.