5-Ethylthiazole
PubChem CID: 519456
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| Compound Synonyms | 5-Ethylthiazole, Thiazole, 5-ethyl-, 17626-73-2, 5-Ethyl-1,3-thiazole, 5-Ethyl-1,3-thiazole #, SCHEMBL469221, DTXSID601316975, NS00113952 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 41.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCC1 |
| Deep Smiles | CCccncs5 |
| Heavy Atom Count | 7.0 |
| Classyfire Class | Azoles |
| Scaffold Graph Node Level | C1CSCN1 |
| Classyfire Subclass | Thiazoles |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 56.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-ethyl-1,3-thiazole |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 1.8 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C5H7NS |
| Scaffold Graph Node Bond Level | c1cscn1 |
| Inchi Key | ASAMCDOTLOUAAR-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 1.0 |
| Synonyms | 5-ethylthiazole |
| Esol Class | Soluble |
| Functional Groups | cnc, csc |
| Compound Name | 5-Ethylthiazole |
| Exact Mass | 113.03 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 113.03 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 113.18 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C5H7NS/c1-2-5-3-6-4-7-5/h3-4H,2H2,1H3 |
| Smiles | CCC1=CN=CS1 |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
- 1. Outgoing r'ship
FOUND_INto/from Allium Tuberosum (Plant) Rel Props:Reference:https://doi.org/10.1111/1750-3841.12118