3-phenyl-6-[(E)-2-thiophen-2-ylethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Formula:C15H10N4S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-phenyl-6-[(E)-2-thiophen-2-ylethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is a drug-like molecule.
| MolName | 3-phenyl-6-[(E)-2-thiophen-2-ylethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole |
| MolecularFormula | C15H10N4S2 |
| Smiles | C(c1cccs1)=C/c(s1)nn2c1nnc2-c1ccccc1 |
| InChI | InChI=1S/C15H10N4S2/c1-2-5-11(6-3-1)14-16-17-15-19(14)18-13(21-15)9-8-12-7-4-10-20-12/h1-10H |
| InChIK | LWZSRMDARBCVCC-UHFFFAOYSA-N |
| TotalMolweight | 310.404 |
| Molweight | 310.404 |
| MonoisotopicMass | 310.034686 |
| CLogP | 3.0659 |
| CLogS | -3.259 |
| H Acceptors | 4 |
| TotalSurfaceArea | 232.69 |
| Relative PSA | 0.3506 |
| PolarSurfaceArea | 99.56 |
| Druglikeness | 4.2221 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61905 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 19 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 4 |
| StereoCon |
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1 - 3-phenyl-6-[(E)-2-thiophen-2-ylethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole | 2 - 3-phenyl-6-[(E)-2-thiophen-2-ylethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
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