N-[(Z)-(4-nitrophenyl)methylideneamino]-4-(4-phenylsulfanylphenyl)-1,3-thiazol-2-amine
Formula:C22H16N4O2S2
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-(4-nitrophenyl)methylideneamino]-4-(4-phenylsulfanylphenyl)-1,3-thiazol-2-amine is not a drug-like molecule.
| MolName | N-[(Z)-(4-nitrophenyl)methylideneamino]-4-(4-phenylsulfanylphenyl)-1,3-thiazol-2-amine |
| MolecularFormula | C22H16N4O2S2 |
| Smiles | [O-][N+](c1ccc(/C=N\Nc2nc(-c(cc3)ccc3Sc3ccccc3)cs2)cc1)=O |
| InChI | InChI=1S/C22H16N4O2S2/c27-26(28)18-10-6-16(7-11-18)14-23-25-22-24-21(15-29-22)17-8-12-20(13-9-17)30-19-4-2-1-3-5-19/h1-15H,(H,24,25) |
| InChIK | DULLNSPGQIVGSQ-UHFFFAOYSA-N |
| TotalMolweight | 432.527 |
| Molweight | 432.527 |
| MonoisotopicMass | 432.071466 |
| CLogP | 6.9455 |
| CLogS | -6.906 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 324.62 |
| Relative PSA | 0.31486 |
| PolarSurfaceArea | 136.64 |
| Druglikeness | -1.2848 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.7 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 2 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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