N-[(Z)-(1-benzylindol-3-yl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
Formula:C25H20N4S
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-(1-benzylindol-3-yl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine is not a drug-like molecule.
| MolName | N-[(Z)-(1-benzylindol-3-yl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine |
| MolecularFormula | C25H20N4S |
| Smiles | C(c1ccccc1)n1c(cccc2)c2c(/C=N\Nc2nc(-c3ccccc3)cs2)c1 |
| InChI | InChI=1S/C25H20N4S/c1-3-9-19(10-4-1)16-29-17-21(22-13-7-8-14-24(22)29)15-26-28-25-27-23(18-30-25)20-11-5-2-6-12-20/h1-15,17-18H,16H2,(H,27,28) |
| InChIK | DISVWBQKXWUUFC-UHFFFAOYSA-N |
| TotalMolweight | 408.528 |
| Molweight | 408.528 |
| MonoisotopicMass | 408.140866 |
| CLogP | 7.7461 |
| CLogS | -5.638 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 321.02 |
| Relative PSA | 0.19055 |
| PolarSurfaceArea | 70.45 |
| Druglikeness | 5.6753 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 6 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 26 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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