N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]-1,3-thiazol-2-amine
Formula:C17H15N3OS
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]-1,3-thiazol-2-amine is not a drug-like molecule.
| MolName | N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]-1,3-thiazol-2-amine |
| MolecularFormula | C17H15N3OS |
| Smiles | C(c1ccccc1)Oc1ccc(/C=N/Nc2nccs2)cc1 |
| InChI | InChI=1S/C17H15N3OS/c1-2-4-15(5-3-1)13-21-16-8-6-14(7-9-16)12-19-20-17-18-10-11-22-17/h1-12H,13H2,(H,18,20) |
| InChIK | KVOLIXXIIQMJHT-UHFFFAOYSA-N |
| TotalMolweight | 309.392 |
| Molweight | 309.392 |
| MonoisotopicMass | 309.093582 |
| CLogP | 5.8143 |
| CLogS | -4.223 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 247.46 |
| Relative PSA | 0.25984 |
| PolarSurfaceArea | 74.75 |
| Druglikeness | 2.5058 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.72727 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]-1,3-thiazol-2-amine | 2 - N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]-1,3-thiazol-2-amine
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