4-(4-chlorophenyl)-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-1,3-thiazol-2-amine
Formula:C18H14N3ClS
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
4-(4-chlorophenyl)-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-1,3-thiazol-2-amine is not a drug-like molecule.
| MolName | 4-(4-chlorophenyl)-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-1,3-thiazol-2-amine |
| MolecularFormula | C18H14N3ClS |
| Smiles | Clc(cc1)ccc1-c1csc(N/N=C\C=C\c2ccccc2)n1 |
| InChI | InChI=1S/C18H14ClN3S/c19-16-10-8-15(9-11-16)17-13-23-18(21-17)22-20-12-4-7-14-5-2-1-3-6-14/h1-13H,(H,21,22) |
| InChIK | LLYLVYMKBSLCHW-UHFFFAOYSA-N |
| TotalMolweight | 339.849 |
| Molweight | 339.849 |
| MonoisotopicMass | 339.059694 |
| CLogP | 6.8407 |
| CLogS | -5.688 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 265.62 |
| Relative PSA | 0.20443 |
| PolarSurfaceArea | 65.52 |
| Druglikeness | 3.9835 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.73913 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| 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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1 - 4-(4-chlorophenyl)-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-1,3-thiazol-2-amine | 2 - 4-(4-chlorophenyl)-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-1,3-thiazol-2-amine
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