2-(2,2-Dimethylhydrazino)-4-(5-nitro-2-furyl)thiazole
PubChem CID: 92248
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| Compound Synonyms | DMNT, 26049-69-4, 2-(2,2-Dimethylhydrazino)-4-(5-nitro-2-furyl)thiazole, 1,1-dimethyl-2-[4-(5-nitrofuran-2-yl)-1,3-thiazol-2-yl]hydrazine, 52EWZ23A94, 4-(5-Nitro-2-furanyl)-2-thiazolone dimethylhydrazone, Thiazole, 2-(2,2-dimethylhydrazino)-4-(5-nitro-2-furyl)-, DTXSID1020518, NITRO-2-FURANYL)-2-THIAZOLONE DIMETHYLHYDRAZONE, 4-(5-, THIAZOLE, 2-(2,2-DIMETHYLHYDRAZINYL)-4-(5-NITRO-2-FURANYL)-, 1,1-DIMETHYL-2-(4-(5-NITROFURAN-2-YL)-1,3-THIAZOL-2-YL)HYDRAZINE, CCRIS 996, BRN 0544225, Thiazole, 2-(2,2-dimethylhydrazino)-4-(5-nitro-2-furanyl)-, DTXCID10518, UNII-52EWZ23A94, CHEMBL313879, QXSIYYQGSPCIHN-UHFFFAOYSA-N, 2-(2,2-dimethylhydrazino)-4-(5-nitrofuran-2-yl)-1,3-thiazole, Q63088198, 2-(2,2-Dimethylhydrazineyl)-4-(5-nitrofuran-2-yl)thiazole |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 115.0 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | True |
| Scaffold Graph Level | C1CCC(C2CCCC2)C1 |
| Deep Smiles | CNNcsccn5)cccco5)[N+]=O)[O-])))))))))))C |
| Heavy Atom Count | 17.0 |
| Classyfire Class | Furans |
| Scaffold Graph Node Level | C1COC(C2CSCN2)C1 |
| Classyfire Subclass | Nitrofurans |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 286.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,1-dimethyl-2-[4-(5-nitrofuran-2-yl)-1,3-thiazol-2-yl]hydrazine |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 2.4 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C9H10N4O3S |
| Scaffold Graph Node Bond Level | c1coc(-c2cscn2)c1 |
| Inchi Key | QXSIYYQGSPCIHN-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 3.0 |
| Synonyms | dmnt |
| Esol Class | Very soluble |
| Functional Groups | cNN(C)C, c[N+](=O)[O-], cnc, coc, csc |
| Compound Name | 2-(2,2-Dimethylhydrazino)-4-(5-nitro-2-furyl)thiazole |
| Exact Mass | 254.047 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 254.047 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 254.27 |
| 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/C9H10N4O3S/c1-12(2)11-9-10-6(5-17-9)7-3-4-8(16-7)13(14)15/h3-5H,1-2H3,(H,10,11) |
| Smiles | CN(C)NC1=NC(=CS1)C2=CC=C(O2)[N+](=O)[O-] |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
- 1. Outgoing r'ship
FOUND_INto/from Chromolaena Odorata (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2017.1396928