5-Methyl-1,2,3-thiadiazole
PubChem CID: 39661
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| Compound Synonyms | 5-METHYL-1,2,3-THIADIAZOLE, 5-methylthiadiazole, 50406-54-7, 1,2,3-Thiadiazole, 5-methyl-, SCHEMBL762980, DTXSID80198459, 5-Methyl-1,2,3-thiadiazole #, CHEBI:144324, PJBPUBIFRFCYHE-UHFFFAOYSA-N, DB-263607, EN300-100985 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 54.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCC1 |
| Deep Smiles | Cccnns5 |
| Heavy Atom Count | 6.0 |
| Classyfire Class | Azoles |
| Scaffold Graph Node Level | C1CSNN1 |
| Classyfire Subclass | Thiadiazoles |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 48.1 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-methylthiadiazole |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 0.8 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C3H4N2S |
| Scaffold Graph Node Bond Level | c1csnn1 |
| Inchi Key | PJBPUBIFRFCYHE-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | 5-methyl-1,2,3-thiadiazole |
| Esol Class | Very soluble |
| Functional Groups | c1csnn1 |
| Compound Name | 5-Methyl-1,2,3-thiadiazole |
| Exact Mass | 100.01 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 100.01 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 100.14 |
| 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/C3H4N2S/c1-3-2-4-5-6-3/h2H,1H3 |
| Smiles | CC1=CN=NS1 |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
- 1. Outgoing r'ship
FOUND_INto/from Allium Ascalonicum (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2012.10662606