halicin

CHEBI:146227 ·resolve ·ANTIBACTERIAL ·EXACT SEEDED

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 <a href="https://en.wikipedia.org/wiki/C-Jun_N-terminal_kinases" target="_blank">c-Jun N-terminal kinase</a> inhibitor (IC50 = 0.7uM) and exhibits antibacterial properties. — ChEBI

Machine-generated and unreviewed. Identity, structure and cross-references come straight from ChEBI's and CARD's own data; no curator has signed off on this record yet.

Classification

Strictly broader compounds or drug classes this molecule belongs to.

Label unavailable CHEBI:16385
Label unavailable CHEBI:35716
Label unavailable CHEBI:38099
Label unavailable CHEBI:38418
Label unavailable CHEBI:50994

Chemical structure

Computed structure properties
Molecular formula	C5H3N5O2S3
Charge	0
Average mass	261.313 Da
Monoisotopic mass	260.94489 Da
Source	ChEBI
InChIKey	NQQBNZBOOHHVQP-UHFFFAOYSA-N

SMILES

Nc1nnc(Sc2ncc([N+](=O)[O-])s2)s1

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)

Also called

5-[(5-nitro-1,3-thiazol-2-yl)sulfanyl]-1,3,4-thiadiazol-2-amine (EXACT_SYNONYM)— chebi
2-amino-5-[(5-nitro-2-thiazolyl)thio]-1,3,4-thiadiazole (EXACT_SYNONYM)— chebi
5-(5-nitrothiazol-2-ylthio)-1,3,4-thiadiazol-2-amine (EXACT_SYNONYM)— chebi
5-[(5-nitro-1,3-thiazol-2-yl)thio]-1,3,4-thiadiazol-2-amine (EXACT_SYNONYM)— chebi
SU 3327 (EXACT_SYNONYM)— chebi
SU-3327 (EXACT_SYNONYM)— chebi
SU3327 (EXACT_SYNONYM)— chebi

Cross-references

Identifiers for this same structure in other resources. An accession that lands on two different structures in this corpus is withheld from both rather than shown here, since it names at most one of them.

cas:40045-50-9
reaxys:1139980

Patents and articles

Documents about this compound. A patent covers a class and an article covers a topic; neither identifies a structure.

wikipedia.en:Halicin

Activity roles

Every antimicrobial role a source asserts for this compound — the unreduced evidence behind its antimicrobial_class.

antibacterial agent CHEBI:33282

Source concepts

Every upstream concept that resolved to this record. The merge is the product: this is what shows ChEBI and CARD are describing the same structure.

Upstream concepts merged into this record
Source	Native ID	Label	Minted CURIE	Version
CHEBI	`CHEBI:146227`	halicin	`antibioticmech:chebi-0b01b4cdbc`	2026-08-30

Curation history

SEEDED_FROM_SOURCES 2026-08-30 · seed_from_sources
Seeded from data/raw/ inventories (CHEBI)
RESEEDED_FROM_SOURCES 2026-08-30 · seed_from_sources
Re-seeded from updated data/raw/ inventories
RESEEDED_FROM_SOURCES 2026-08-30 · seed_from_sources
Re-seeded from updated data/raw/ inventories
RESEEDED_FROM_SOURCES 2026-09-10 · seed_from_sources
Re-seeded from updated data/raw/ inventories

Provenance

Seeded by scripts/seed_from_sources.py from the committed inventories in data/raw/. View the record (YAML).

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