N-[(E)-(3-phenoxyphenyl)methylideneamino]-1,3-thiazol-2-amine
Formula:C16H13N3OS
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
N-[(E)-(3-phenoxyphenyl)methylideneamino]-1,3-thiazol-2-amine is not a drug-like molecule.
| MolName | N-[(E)-(3-phenoxyphenyl)methylideneamino]-1,3-thiazol-2-amine |
| MolecularFormula | C16H13N3OS |
| Smiles | C(c1cc(Oc2ccccc2)ccc1)=N/Nc1nccs1 |
| InChI | InChI=1S/C16H13N3OS/c1-2-6-14(7-3-1)20-15-8-4-5-13(11-15)12-18-19-16-17-9-10-21-16/h1-12H,(H,17,19) |
| InChIK | VMLBRCDHSFEQHN-UHFFFAOYSA-N |
| TotalMolweight | 295.365 |
| Molweight | 295.365 |
| MonoisotopicMass | 295.077932 |
| CLogP | 5.8618 |
| CLogS | -5.179 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 233.7 |
| Relative PSA | 0.27514 |
| PolarSurfaceArea | 74.75 |
| Druglikeness | 2.7861 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - N-[(E)-(3-phenoxyphenyl)methylideneamino]-1,3-thiazol-2-amine | 2 - N-[(E)-(3-phenoxyphenyl)methylideneamino]-1,3-thiazol-2-amine
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