(ne)-n-[3-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-methyl-1,3,5-oxadiazinan-4-ylidene]nitramide (CED0050882)

Record Information
Version1.0
Creation Date2026-08-24 10:38:39 UTC
Update Date2026-08-24 10:38:39 UTC
Accession NumberCHEM248087
Identification
Common Name(ne)-n-[3-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-methyl-1,3,5-oxadiazinan-4-ylidene]nitramide
ClassSmall Molecule
Description
(ne)-n-[3-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-methyl-1,3,5-oxadiazinan-4-ylidene]nitramide belongs to the thiazoles, a subclass of azoles within the organic compounds. This organoheterocyclic compound has the chemical formula C8H10ClN5O3S and an average molecular weight of 291.72 g/mol. In terms of its roles and uses, the compound functions as a biological pesticide (PMC12452724) and is utilized industrially and biologically as an insecticide (PMC6915785, PMC10465560, PMC5363855, PMC9188499). It has been identified in three recorded sources, including floors within the building and construction sector, as well as food, food processing, and cookware sources such as the treatment of hops and molasses and the treatment of molasses.
Contaminant TypeNot Available
Chemical Structure
SynonymsNot Available
Chemical FormulaC8H10ClN5O3S
Average Molecular Mass291.720 g/mol
Monoisotopic Mass291.019 g/mol
CAS Registry Number153719-23-4
IUPAC NameNot Available
Traditional NameNot Available
SMILESNot Available
InChI IdentifierInChI=1S/C8H10ClN5O3S/c1-12-4-17-5-13(8(12)11-14(15)16)3-6-2-10-7(9)18-6/h2H,3-5H2,1H3/b11-8+
InChI KeyNWWZPOKUUAIXIW-DHZHZOJOSA-N
Chemical Taxonomy
ClassificationNot classified
Biological Properties
StatusDetected and Not Quantified
OriginNot Available
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationsNot Available
ApplicationsNot Available
Biological Roles
Chemical RolesNot Available
Organoleptic EffectsNot Available
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted PropertiesNot Available
Spectra
SpectraNot Available
Toxicity Profile
Mechanism of ToxicityNot Available
Carcinogenicity (IARC Classification)Not Available
Minimum Risk LevelNot Available
SymptomsNot Available
TreatmentNot Available
Toxicity Values
Toxicity ValueUnitValue RangeOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalReference
1098.0Log mg/kg[620:2000]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
497FloorsBuilding & ConstructionNot Available
546Molasses And Treatment Of MolassesFood, food processing & cookwareNot Available
553Treatment Of HopsFood, food processing & cookwareNot Available
578Making CigarsIndustrial manufacturing & chemical processingNot Available
597ChemosterilantsAgriculture & land managementNot Available
598Fertiliser DistributorsAgriculture & land managementNot Available
601Lawn MowersAgriculture & land managementNot Available
607Rodenticides(1)Agriculture & land managementNot Available
608RodenticidesAgriculture & land managementNot Available
634BucklesTextiles, leather & furnishingsNot Available
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Click to view 3D structureAcetylcholine receptor subunit beta-like 2P25162Drosophila melanogasterPredicted (SEA)0.700643
Click to view 3D structureNicotinic acetylcholine receptor alpha 5 subunitA9XFY4Musca domesticaPredicted (SEA)0.389246
Click to view 3D structureNeuronal acetylcholine receptor subunit alpha-4P09482Gallus gallusPredicted (SEA)2.02408
Click to view 3D structureAcetylcholine-binding proteinP58154Lymnaea stagnalisPredicted (SEA)44.8412
Click to view 3D structureSoluble acetylcholine receptorQ8WSF8Aplysia californicaPredicted (SEA)7.00643
Click to view 3D structureNeuronal acetylcholine receptor subunit alpha-4O70174Mus musculusPredicted (SEA)2.17978
Click to view 3D structureNicotinic acetylcholine receptor alpha8 subunitH6TY12Periplaneta americanaPredicted (SEA)1.24559
Kappa-type opioid receptor structureClick to view 3D structureKappa-type opioid receptorP41145HumansPredicted (SEA)4144.23
Photoreceptor-specific nuclear receptor structureClick to view 3D structurePhotoreceptor-specific nuclear receptorQ9Y5X4HumansPredicted (SEA)1645.27
Toll-like receptor 9 structureClick to view 3D structureToll-like receptor 9Q9NR96HumansPredicted (SEA)1974.96
Click to view 3D structureStreptokinase AP10520Streptococcus pyogenes serotype M1Predicted (SEA)4597.77
Click to view 3D structureHeat shock factor protein 1P38532Mus musculusPredicted (SEA)3313.73
Click to view 3D structureProtein RecAP9WHJ3Mycobacterium tuberculosisPredicted (SEA)4369.13
Neuronal acetylcholine receptor subunit alpha-7 structureClick to view 3D structureNeuronal acetylcholine receptor subunit alpha-7P36544HumansPredicted (SEA)2309.4
G-protein coupled receptor 55 structureClick to view 3D structureG-protein coupled receptor 55Q9Y2T6HumansPredicted (SEA)3383.33
Type-1 angiotensin II receptor structureClick to view 3D structureType-1 angiotensin II receptorP30556HumansPredicted (SEA)4041.23
Click to view 3D structureNitric oxide synthase 3P70313Mus musculusPredicted (SEA)149.704
Cytochrome P450 2C9 structureClick to view 3D structureCytochrome P450 2C9P11712HumansPredicted (SEA)7500.07
Adenosine receptor A2b structureClick to view 3D structureAdenosine receptor A2bP29275HumansPredicted (SEA)4421.21
Amine oxidase [flavin-containing] B structureClick to view 3D structureAmine oxidase [flavin-containing] BP27338HumansPredicted (SEA)5080.44
Amine oxidase [flavin-containing] A structureClick to view 3D structureAmine oxidase [flavin-containing] AP21397HumansPredicted (SEA)4608.13
Cytochrome P450 2C19 structureClick to view 3D structureCytochrome P450 2C19P33261HumansPredicted (SEA)7360.25
Click to view 3D structureAdenosine receptor A2aP30543Rattus norvegicusPredicted (SEA)3653.54
Adenosine receptor A1 structureClick to view 3D structureAdenosine receptor A1P30542HumansPredicted (SEA)5459.41
Click to view 3D structureNucleoproteinP15682Influenza A virus (strain A/Wilson-Smith/1933 H1N1)Predicted (SEA)336.776
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available