2-[(E)-2-phenylethenyl]-4,5-dihydro-1,3-thiazole
Formula:C11H11NS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(E)-2-phenylethenyl]-4,5-dihydro-1,3-thiazole is a drug-like molecule.
| MolName | 2-[(E)-2-phenylethenyl]-4,5-dihydro-1,3-thiazole |
| MolecularFormula | C11H11NS |
| Smiles | C1N=C(/C=C/c2ccccc2)SC1 |
| InChI | InChI=1S/C11H11NS/c1-2-4-10(5-3-1)6-7-11-12-8-9-13-11/h1-7H,8-9H2 |
| InChIK | BHXRULBFMDQOMX-UHFFFAOYSA-N |
| TotalMolweight | 189.281 |
| Molweight | 189.281 |
| MonoisotopicMass | 189.061219 |
| CLogP | 1.8427 |
| CLogS | -2.183 |
| H Acceptors | 1 |
| TotalSurfaceArea | 154.24 |
| Relative PSA | 0.18802 |
| PolarSurfaceArea | 37.66 |
| Druglikeness | 1.6137 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.69231 |
| Fragments | 1 |
| Non HAtoms | 13 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bond | 2 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| StereoCon |
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1 - 2-[(E)-2-phenylethenyl]-4,5-dihydro-1,3-thiazole | 2 - 2-[(E)-2-phenylethenyl]-4,5-dihydro-1,3-thiazole
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