N-[(Z)-benzylideneamino]-4-(4-benzylphenyl)-1,3-thiazol-2-amine
Formula:C23H19N3S
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-benzylideneamino]-4-(4-benzylphenyl)-1,3-thiazol-2-amine is not a drug-like molecule.
| MolName | N-[(Z)-benzylideneamino]-4-(4-benzylphenyl)-1,3-thiazol-2-amine |
| MolecularFormula | C23H19N3S |
| Smiles | C(c1ccccc1)c(cc1)ccc1-c1csc(N/N=C\c2ccccc2)n1 |
| InChI | InChI=1S/C23H19N3S/c1-3-7-18(8-4-1)15-19-11-13-21(14-12-19)22-17-27-23(25-22)26-24-16-20-9-5-2-6-10-20/h1-14,16-17H,15H2,(H,25,26) |
| InChIK | XHCIGRPNIZYOOE-UHFFFAOYSA-N |
| TotalMolweight | 369.491 |
| Molweight | 369.491 |
| MonoisotopicMass | 369.129967 |
| CLogP | 8.0323 |
| CLogS | -6.371 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 297.22 |
| Relative PSA | 0.18269 |
| PolarSurfaceArea | 65.52 |
| Druglikeness | 3.8533 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.7037 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 1 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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