isotianil

CHEBI:83657 ·resolve ·ANTIFUNGAL ·EXACT SEEDED

A monocarboxylic acid amide resulting from the formal condensation of the carboxy group of 3,4-dichloro-1,2-thiazole-5-carboxylic acid with o-cyanoaniline. It is a fungicide used for the control of rice blast. — 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:18379 CHEBI:18379
CHEBI:29347 CHEBI:29347
CHEBI:36683 CHEBI:36683
CHEBI:48902 CHEBI:48902
CHEBI:87015 CHEBI:87015

Chemical structure

Computed structure properties
Molecular formula	C11H5Cl2N3OS
Charge	0
Average mass	298.154 Da
Monoisotopic mass	296.95304 Da
Source	ChEBI
InChIKey	WLPCAERCXQSYLQ-UHFFFAOYSA-N

SMILES

N#Cc1ccccc1NC(=O)c1snc(Cl)c1Cl

InChI

InChI=1S/C11H5Cl2N3OS/c12-8-9(18-16-10(8)13)11(17)15-7-4-2-1-3-6(7)5-14/h1-4H,(H,15,17)

Also called

3,4-dichloro-N-(2-cyanophenyl)-1,2-thiazole-5-carboxamide (EXACT_SYNONYM)— chebi
3,4-dichloro-2'-cyano-1,2-thiazole-5-carboxanilide (EXACT_SYNONYM)— chebi

Cross-references

Equivalent identifiers for this same structure in other resources.

cas:224049-04-1
pesticides:isotianil
ppdb:1363
reaxys:11326450

Activity roles

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

CHEBI:24127 CHEBI:24127
CHEBI:35718 CHEBI:35718
CHEBI:86328 CHEBI:86328

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:83657`	isotianil	`antibioticmech:chebi-62de5bc963`	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.