5-Ethoxythiazole
PubChem CID: 568152
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| Compound Synonyms | 5-Ethoxythiazole, Thiazole, 5-ethoxy-, 5-Ethoxy-1,3-thiazole, 25115-63-3, 5-ethoxy thiazole, 5-Ethoxy-1,3-thiazole #, SCHEMBL11579261 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 50.4 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCC1 |
| Deep Smiles | CCOccncs5 |
| Heavy Atom Count | 8.0 |
| Classyfire Class | Organooxygen compounds |
| Description | 5-ethoxythiazole is a member of the class of compounds known as alkyl aryl ethers. Alkyl aryl ethers are organic compounds containing the alkyl aryl ether functional group with the generic formula R-O-R' , where R is an alkyl group and R' is an aryl group. 5-ethoxythiazole is slightly soluble (in water) and a moderately basic compound (based on its pKa). 5-ethoxythiazole can be found in guava, which makes 5-ethoxythiazole a potential biomarker for the consumption of this food product. |
| Scaffold Graph Node Level | C1CSCN1 |
| Classyfire Subclass | Ethers |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 69.4 |
| Database Name | fooddb_chem_all;hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-ethoxy-1,3-thiazole |
| Class | Organooxygen compounds |
| Veber Rule | True |
| Classyfire Superclass | Organic oxygen compounds |
| Xlogp | 1.6 |
| Superclass | Organic oxygen compounds |
| Subclass | Ethers |
| Gsk 4 400 Rule | True |
| Molecular Formula | C5H7NOS |
| Scaffold Graph Node Bond Level | c1cscn1 |
| Inchi Key | CAYSHAOATVWHSR-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 2.0 |
| Synonyms | 5-Ethoxy-1,3-thiazole, 5-Ethoxythiazole, 5-ethoxy-thiazole |
| Esol Class | Very soluble |
| Functional Groups | cOC, cnc, csc |
| Compound Name | 5-Ethoxythiazole |
| Kingdom | Organic compounds |
| Exact Mass | 129.025 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 129.025 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 129.18 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C5H7NOS/c1-2-7-5-3-6-4-8-5/h3-4H,2H2,1H3 |
| Smiles | CCOC1=CN=CS1 |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Alkyl aryl ethers |
- 1. Outgoing r'ship
FOUND_INto/from Psidium Guajava (Plant) Rel Props:Source_db:fooddb_chem_all