3-(4-methyl-1,2,3-thiadiazolyl)-6-trichloromethyl[1,2,4]triazolo[3,4-b][1,3,4]thiadizole

CHEBI:143904 ·resolve ·ANTIFUNGAL ·EXACT SEEDED

A triazolothiadiazole that is 1,7a-dihydro[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole substituted by a 4-methyl-1,2,3-thiadiazol-5-yl group at position 3 and by a trichloromethyl group at position 6. It is a fungicide with a wide spectrum of activity and inhibits the enzymatic activity of pyruvate kinase. — 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.

CHEBI:140920 CHEBI:140920
CHEBI:36683 CHEBI:36683
CHEBI:38099 CHEBI:38099

Chemical structure

Computed structure properties
Molecular formula	C7H5Cl3N6S2
Charge	0
Average mass	343.652 Da
Monoisotopic mass	341.90827 Da
Source	ChEBI
InChIKey	AJJFYSYXUHCPMZ-UHFFFAOYSA-N

SMILES

Cc1nnsc1C1=NNC2SC(C(Cl)(Cl)Cl)=NN12

InChI

InChI=1S/C7H5Cl3N6S2/c1-2-3(18-15-11-2)4-12-13-6-16(4)14-5(17-6)7(8,9)10/h6,13H,1H3

Also called

3-(4-methyl-1,2,3-thiadiazol-5-yl)-6-(trichloromethyl)-1,7a-dihydro[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (EXACT_SYNONYM)— chebi
3-(4-methyl-1,2,3-thiadiazolyl)-6-trichloromethyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (EXACT_SYNONYM)— chebi
YZK-C22 (EXACT_SYNONYM)— chebi

Activity roles

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

CHEBI:24127 CHEBI:24127

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:143904`	3-(4-methyl-1,2,3-thiadiazolyl)-6-trichloromethyl[1,2,4]triazolo[3,4-b][1,3,4]thiadizole	`antibioticmech:chebi-96d80fa256`	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

Provenance

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