| Common Name |
4,5-Dihydro-2-methylthiazole
| Description |
4,5-Dihydro-2-methylthiazole is a constituent of various cooked foods.4,5-Dihydro-2-methylthiazole belongs to the family of Thiazolines. These are heterocyclic compounds containing a five-member unsaturated aliphatic ring with one nitrogen atom, one slifur atom, three carbon atoms.
| Structure |
MOLSDF3D-SDFPDBSMILESInChI View 3D Structure
Structure for HMDB29555 (4,5-Dihydro-2-methylthiazole)
| Synonyms |
| Value |
Source |
2-Methyl-2-thiazolineHMDB
2-Methyl-2-thiazoline, 8ciHMDB
2-Methyl-4,5-dihydro-1,3-thiazoleHMDB
2-Methyl-laquo deltaraquo 2-thiazolineHMDB
2-MethylthiazolineHMDB
4,5-dihydro-2-Methyl-thiazoleHMDB
Methyl-2 delta-2 thiazolineHMDB
Methyl-2-thiazolineHMDB
| Chemical Formlia |
C4H7NS
| Average Molecliar Weight |
101.17
| Monoisotopic Molecliar Weight |
101.029919919
| IUPAC Name |
2-methyl-4,5-dihydro-1,3-thiazole
| Traditional Name |
2-methyl-4,5-dihydro-1,3-thiazole
| CAS Registry Number |
2346-00-1
| SMILES |
CC1=NCCS1
| InChI Identifier |
InChI=1S/C4H7NS/c1-4-5-2-3-6-4/h2-3H2,1H3
| InChI Key |
JUIQOABNSLTJSW-UHFFFAOYSA-N
| Chemical Taxonomy |
| Description |
This compound belongs to the class of chemical entities known as thiazolines. These are heterocyclic compounds containing a five-member unsaturated aliphatic ring with one nitrogen atom, one slifur atom, three carbon atoms.
| Kingdom |
Chemical entities
| Super Class |
Organic compounds
| Class |
Organoheterocyclic compounds
| Sub Class |
Azolines
| Direct Parent |
Thiazolines
| Alternative Parents |
Propargyl-type 1,3-dipolar organic compounds
Azacyclic compounds
Organopnictogen compounds
Organonitrogen compounds
Hydrocarbon derivatives
| Substituents |
Meta-thiazoline
Azacycle
Organic 1,3-dipolar compound
Propargyl-type 1,3-dipolar organic compound
Organic nitrogen compound
Organopnictogen compound
Hydrocarbon derivative
Organonitrogen compound
Aliphatic heteromonocyclic compound
| Molecliar Framework |
Aliphatic heteromonocyclic compounds
| External Descriptors |
Not Available
| Ontology |
| Status |
Expected but not Quantified
| Origin |
Endogenous
Food
| Biofunction |
Not Available
| Application |
Nutrient
| Cellliar locations |
Cytoplasm
Extracellliar
| Physical Properties |
| State |
Not Available
| Experimental Properties |
| Property |
Value |
Reference |
Melting Point-101 °CNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
| Predicted Properties |
| Property |
Value |
Source |
Water Solubility5.74 mg/mLALOGPS
logP0.96ALOGPS
logP0.48ChemAxon
logS-1.2ALOGPS
pKa (Strongest Basic)5.81ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count1ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area12.36 Å2ChemAxon
Rotatable Bond Count0ChemAxon
Refractivity28.9 m3·mol-1ChemAxon
Polarizability10.76 Å3ChemAxon
Number of Rings1ChemAxon
Bioavailability1ChemAxon
Rlie of FiveYesChemAxon
Ghose FilterYesChemAxon
Vebers RlieYesChemAxon
MDDR-like RlieYesChemAxon
| Spectra |
| Spectra |
| Spectrum Type |
Description |
Splash Key |
|
| Predicted LC-MS/MS |
Predicted LC-MS/MS Spectrum – 10V, PositiveNot Available
| Predicted LC-MS/MS |
Predicted LC-MS/MS Spectrum – 20V, PositiveNot Available
| Predicted LC-MS/MS |
Predicted LC-MS/MS Spectrum – 40V, PositiveNot Available
| Predicted LC-MS/MS |
Predicted LC-MS/MS Spectrum – 10V, NegativeNot Available
| Predicted LC-MS/MS |
Predicted LC-MS/MS Spectrum – 20V, NegativeNot Available
| Predicted LC-MS/MS |
Predicted LC-MS/MS Spectrum – 40V, NegativeNot Available
| Biological Properties |
| Cellliar Locations |
Cytoplasm
Extracellliar
| Biofluid Locations |
Not Available
| Tissue Location |
Not Available
| Pathways |
Not Available
| Normal Concentrations |
| Not Available |
| Abnormal Concentrations |
|
Not Available
| Associated Disorders and Diseases |
| Disease References |
None
| Associated OMIM IDs |
None
| External Links |
| DrugBank ID |
Not Available
| DrugBank Metabolite ID |
Not Available
| Phenol Explorer Compound ID |
Not Available
| Phenol Explorer Metabolite ID |
Not Available
| FoodDB ID |
FDB000706
| KNApSAcK ID |
Not Available
| Chemspider ID |
15985
| KEGG Compound ID |
Not Available
| BioCyc ID |
Not Available
| BiGG ID |
Not Available
| Wikipedia Link |
Not Available
| NuGOwiki Link |
HMDB29555
| Metagene Link |
HMDB29555
| METLIN ID |
Not Available
| PubChem Compound |
16867
| PDB ID |
Not Available
| ChEBI ID |
Not Available
Product: IQ-1S (free acid)
References |
| Synthesis Reference |
Not Available |
| Material Safety Data Sheet (MSDS) |
Not Available |
| General References |
- (). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .
|
PMID: 2997155
