N-[(Z)-benzylideneamino]-5-thiophen-2-yl-1,3-thiazol-2-amine
Formula:C14H11N3S2
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-benzylideneamino]-5-thiophen-2-yl-1,3-thiazol-2-amine is not a drug-like molecule.
| MolName | N-[(Z)-benzylideneamino]-5-thiophen-2-yl-1,3-thiazol-2-amine |
| MolecularFormula | C14H11N3S2 |
| Smiles | C(c1ccccc1)=N\Nc1ncc(-c2cccs2)s1 |
| InChI | InChI=1S/C14H11N3S2/c1-2-5-11(6-3-1)9-16-17-14-15-10-13(19-14)12-7-4-8-18-12/h1-10H,(H,15,17) |
| InChIK | WDPSJUAHDXRADN-UHFFFAOYSA-N |
| TotalMolweight | 285.394 |
| Molweight | 285.394 |
| MonoisotopicMass | 285.039437 |
| CLogP | 6.388 |
| CLogS | -4.91 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 219.64 |
| Relative PSA | 0.33992 |
| PolarSurfaceArea | 93.76 |
| Druglikeness | 4.397 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.68421 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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