N-[(Z)-furan-2-ylmethylideneamino]-4-(4-phenoxyphenyl)-1,3-thiazol-2-amine
Formula:C20H15N3O2S
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-furan-2-ylmethylideneamino]-4-(4-phenoxyphenyl)-1,3-thiazol-2-amine is not a drug-like molecule.
| MolName | N-[(Z)-furan-2-ylmethylideneamino]-4-(4-phenoxyphenyl)-1,3-thiazol-2-amine |
| MolecularFormula | C20H15N3O2S |
| Smiles | C(c1ccco1)=N\Nc1nc(-c(cc2)ccc2Oc2ccccc2)cs1 |
| InChI | InChI=1S/C20H15N3O2S/c1-2-5-16(6-3-1)25-17-10-8-15(9-11-17)19-14-26-20(22-19)23-21-13-18-7-4-12-24-18/h1-14H,(H,22,23) |
| InChIK | MWMQJUKRKGKKGD-UHFFFAOYSA-N |
| TotalMolweight | 361.424 |
| Molweight | 361.424 |
| MonoisotopicMass | 361.088497 |
| CLogP | 6.8007 |
| CLogS | -6.639 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 283.15 |
| Relative PSA | 0.27692 |
| PolarSurfaceArea | 87.89 |
| Druglikeness | 3.5252 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.69231 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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