5-Methoxythiazole
PubChem CID: 575308
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| Compound Synonyms | 5-Methoxythiazole, Thiazole, 5-methoxy-, 14542-14-4, 5-Methoxy-1,3-thiazole, DTXSID80341721, 5-Methoxy-1,3-thiazole #, SCHEMBL449393, DTXCID40292801 |
|---|---|
| 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 | COccncs5 |
| Heavy Atom Count | 7.0 |
| Classyfire Class | Organooxygen compounds |
| Scaffold Graph Node Level | C1CSCN1 |
| Classyfire Subclass | Ethers |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 59.7 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-methoxy-1,3-thiazole |
| Veber Rule | True |
| Classyfire Superclass | Organic oxygen compounds |
| Xlogp | 1.3 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C4H5NOS |
| Scaffold Graph Node Bond Level | c1cscn1 |
| Inchi Key | ASOREQWGEDVBSR-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 1.0 |
| Synonyms | thiazole,5-methoxy, thiazole,5-methoxy- |
| Esol Class | Very soluble |
| Functional Groups | cOC, cnc, csc |
| Compound Name | 5-Methoxythiazole |
| Exact Mass | 115.009 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 115.009 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 115.16 |
| 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/C4H5NOS/c1-6-4-2-5-3-7-4/h2-3H,1H3 |
| Smiles | COC1=CN=CS1 |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
- 1. Outgoing r'ship
FOUND_INto/from Allium Wallichii (Plant) Rel Props:Reference:https://doi.org/10.1016/s0167-4501(06)80207-4