2,2-dimethyl-5h-1,3-thiazole (CED0310180)

Record Information
Version1.0
Creation Date2026-09-01 08:18:21 UTC
Update Date2026-09-01 08:18:21 UTC
Accession NumberCHEM355895
Identification
Common Name2,2-dimethyl-5h-1,3-thiazole
ClassSmall Molecule
Description
2,2-dimethyl-5h-1,3-thiazole is a chemical compound with the formula C5H9NS. It has an average molecular weight of 115.20 g/mol.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC5H9NS
Average Molecular MassNot Available
Monoisotopic Mass115.046 g/mol
CAS Registry Number66692-88-4
IUPAC NameNot Available
Traditional NameNot Available
SMILESCC1(N=CCS1)C
InChI IdentifierInChI=1S/C5H9NS/c1-5(2)6-3-4-7-5/h3H,4H2,1-2H3
InChI KeyPHNGUPTZRBWMMJ-UHFFFAOYSA-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 RolesNot Available
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
255.0Log mg/kg[140:450]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Dihydrofolate reductase structureClick to view 3D structureDihydrofolate reductaseP00378Gallus gallusPredicted (SEA)2489.7
Bifunctional dihydrofolate reductase-thymidylate synthase structureClick to view 3D structureBifunctional dihydrofolate reductase-thymidylate synthaseP13922Plasmodium falciparum (isolate K1 / Thailand)Predicted (SEA)3586.82
Dihydrofolate reductase structureClick to view 3D structureDihydrofolate reductaseP00374HumansPredicted (SEA)7169.68
Dihydrofolate reductase structureClick to view 3D structureDihydrofolate reductaseP0ABQ4Escherichia coli (strain K12)Predicted (SEA)5777.81
Dihydrofolate reductase structureClick to view 3D structureDihydrofolate reductaseP16184Pneumocystis cariniiPredicted (SEA)5815.8
Beta-lactamase structureClick to view 3D structureBeta-lactamaseP00811Escherichia coli (strain K12)Predicted (SEA)5343.8
Cytochrome P450 2C19 structureClick to view 3D structureCytochrome P450 2C19P33261HumansPredicted (SEA)7774.8
Beta-lactamase structureClick to view 3D structureBeta-lactamaseP05193Citrobacter freundiiPredicted (SEA)737.154
Beta-lactamase structureClick to view 3D structureBeta-lactamaseP00808Bacillus licheniformisPredicted (SEA)799.901
Click to view 3D structurePenB class A beta-lactamaseB8R6A5Burkholderia cenocepaciaPredicted (SEA)1319.16
Click to view 3D structureBeta-lactamaseP94958Morganella morganiiPredicted (SEA)1319.16
Click to view 3D structureCarbapenem-hydrolizing beta-lactamase SFC-1Q6JP75Serratia fonticolaPredicted (SEA)1319.16
Click to view 3D structureSigma non-opioid intracellular receptor 1Q9R0C9Rattus norvegicusPredicted (SEA)7639.66
Beta-lactamase TEM structureClick to view 3D structureBeta-lactamase TEMP62593Escherichia coliPredicted (SEA)3929.44
Beta-lactamase structureClick to view 3D structureBeta-lactamaseP05364Enterobacter cloacaePredicted (SEA)3677.36
Beta-lactamase structureClick to view 3D structureBeta-lactamaseP00807Staphylococcus aureusPredicted (SEA)1178.01
Click to view 3D structureBifunctional dihydrofolate reductase-thymidylate synthaseP07382Leishmania majorPredicted (SEA)6879.38
Retinoic acid receptor RXR-alpha structureClick to view 3D structureRetinoic acid receptor RXR-alphaP19793HumansPredicted (SEA)7531.91
Glycogen synthase kinase-3 beta structureClick to view 3D structureGlycogen synthase kinase-3 betaP49841HumansPredicted (SEA)7771.14
Sigma non-opioid intracellular receptor 1 structureClick to view 3D structureSigma non-opioid intracellular receptor 1Q99720HumansPredicted (SEA)7776.9
Click to view 3D structureNuclear receptor subfamily 1 group I member 3O35627Mus musculusPredicted (SEA)92.952
Prostaglandin G/H synthase 1 structureClick to view 3D structureProstaglandin G/H synthase 1P23219HumansPredicted (SEA)7711.74
G-protein coupled receptor 55 structureClick to view 3D structureG-protein coupled receptor 55Q9Y2T6HumansPredicted (SEA)7717.35
Click to view 3D structureExtended-spectrum beta-lactamase PER-6D5HSX5Aeromonas allosaccharophilaPredicted (SEA)728.435
Click to view 3D structureADC-14 proteinQ0VTR6Acinetobacter genomosp. 3Predicted (SEA)728.435
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available