4-phenyl-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-1,3-thiazol-2-amine
Formula:C18H15N3S
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
4-phenyl-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-1,3-thiazol-2-amine is not a drug-like molecule.
| MolName | 4-phenyl-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-1,3-thiazol-2-amine |
| MolecularFormula | C18H15N3S |
| Smiles | C(/C=N\Nc1nc(-c2ccccc2)cs1)=C/c1ccccc1 |
| InChI | InChI=1S/C18H15N3S/c1-3-8-15(9-4-1)10-7-13-19-21-18-20-17(14-22-18)16-11-5-2-6-12-16/h1-14H,(H,20,21) |
| InChIK | PQZZILKWTVQJQQ-UHFFFAOYSA-N |
| TotalMolweight | 305.404 |
| Molweight | 305.404 |
| MonoisotopicMass | 305.098667 |
| CLogP | 6.2347 |
| CLogS | -4.952 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 250.2 |
| Relative PSA | 0.21703 |
| PolarSurfaceArea | 65.52 |
| Druglikeness | 3.9641 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.72727 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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