halicin (CHEBI:146227)

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ChEBI Name	halicin

ChEBI ID	CHEBI:146227

Definition	A member of the class of thiadiazoles that is 1,3,4-thiadiazol-2-amine which is substituted by a (5-nitro-1,3-thiazol-2-yl)sulfanediyl group at position 5. It is a c-Jun N-terminal kinase inhibitor (IC₅₀ = 0.7uM) and exhibits antibacterial properties.

Stars	This entity has been manually annotated by the ChEBI Team.

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Formula

C5H3N5O2S3

Net Charge

Average Mass

261.290

Monoisotopic Mass

260.94489

InChI

InChI=1S/C5H3N5O2S3/c6-3-8-9-5(14-3)15-4-7-1-2(13-4)10(11)12/h1H,(H2,6,8)

InChIKey

NQQBNZBOOHHVQP-UHFFFAOYSA-N

SMILES

C=1(SC(=NN1)SC=2SC(=CN2)[N+](=O)[O-])N

Roles Classification
Chemical Role(s):	Bronsted base A molecular entity capable of accepting a hydron from a donor (Bronsted acid). (via organic amino compound )

Biological Role(s):	c-Jun N-terminal kinase inhibitor An EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor that inhibits the action of c-Jun N-terminal kinase. antibacterial agent A substance (or active part thereof) that kills or slows the growth of bacteria.

ChEBI Ontology
Outgoing	halicin (CHEBI:146227) has role antibacterial agent (CHEBI:33282) halicin (CHEBI:146227) has role c-Jun N-terminal kinase inhibitor (CHEBI:90172) halicin (CHEBI:146227) is a 1,3-thiazoles (CHEBI:38418) halicin (CHEBI:146227) is a C-nitro compound (CHEBI:35716) halicin (CHEBI:146227) is a organic sulfide (CHEBI:16385) halicin (CHEBI:146227) is a primary amino compound (CHEBI:50994) halicin (CHEBI:146227) is a thiadiazoles (CHEBI:38099)

IUPAC Name

5-[(5-nitro-1,3-thiazol-2-yl)sulfanyl]-1,3,4-thiadiazol-2-amine

Synonyms	Sources
2-amino-5-[(5-nitro-2-thiazolyl)thio]-1,3,4-thiadiazole	ChEBI
5-(5-nitrothiazol-2-ylthio)-1,3,4-thiadiazol-2-amine	ChEBI
5-[(5-nitro-1,3-thiazol-2-yl)thio]-1,3,4-thiadiazol-2-amine	ChEBI
SU 3327	ChEBI
SU-3327	ChEBI
SU3327	ChEBI

Last Modified

28 February 2020