3-benzyl-4-chloro-5-[(Z)-(phenylhydrazinylidene)methyl]-1,3-thiazol-2-one
Formula:C17H14N3OClS
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
3-benzyl-4-chloro-5-[(Z)-(phenylhydrazinylidene)methyl]-1,3-thiazol-2-one is not a drug-like molecule.
| MolName | 3-benzyl-4-chloro-5-[(Z)-(phenylhydrazinylidene)methyl]-1,3-thiazol-2-one |
| MolecularFormula | C17H14N3OClS |
| Smiles | O=C(N1Cc2ccccc2)SC(/C=N\Nc2ccccc2)=C1Cl |
| InChI | InChI=1S/C17H14ClN3OS/c18-16-15(11-19-20-14-9-5-2-6-10-14)23-17(22)21(16)12-13-7-3-1-4-8-13/h1-11,20H,12H2 |
| InChIK | WHBTUJJOXPAIET-UHFFFAOYSA-N |
| TotalMolweight | 343.837 |
| Molweight | 343.837 |
| MonoisotopicMass | 343.054609 |
| CLogP | 5.2112 |
| CLogS | -4.756 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 253.38 |
| Relative PSA | 0.22516 |
| PolarSurfaceArea | 70 |
| Druglikeness | 5.783 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | polar activated DB; imine/hydrazone of aldehyde |
| Shape Index | 0.65217 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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1 - 3-benzyl-4-chloro-5-[(Z)-(phenylhydrazinylidene)methyl]-1,3-thiazol-2-one | 2 - 3-benzyl-4-chloro-5-[(Z)-(phenylhydrazinylidene)methyl]-1,3-thiazol-2-one
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