N-[(E)-(2-morpholin-4-yl-1,3-thiazol-5-yl)methylideneamino]-2-phenoxyaniline
Formula:C20H20N4O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(E)-(2-morpholin-4-yl-1,3-thiazol-5-yl)methylideneamino]-2-phenoxyaniline is not a drug-like molecule.
| MolName | N-[(E)-(2-morpholin-4-yl-1,3-thiazol-5-yl)methylideneamino]-2-phenoxyaniline |
| MolecularFormula | C20H20N4O2S |
| Smiles | C(COCC1)N1c1ncc(/C=N/Nc(cccc2)c2Oc2ccccc2)s1 |
| InChI | InChI=1S/C20H20N4O2S/c1-2-6-16(7-3-1)26-19-9-5-4-8-18(19)23-22-15-17-14-21-20(27-17)24-10-12-25-13-11-24/h1-9,14-15,23H,10-13H2 |
| InChIK | XTIMUKJTFHEPMN-UHFFFAOYSA-N |
| TotalMolweight | 380.471 |
| Molweight | 380.471 |
| MonoisotopicMass | 380.130696 |
| CLogP | 5.613 |
| CLogS | -5.392 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 295.54 |
| Relative PSA | 0.26342 |
| PolarSurfaceArea | 87.22 |
| Druglikeness | 4.275 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.62963 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 6 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[(E)-(2-morpholin-4-yl-1,3-thiazol-5-yl)methylideneamino]-2-phenoxyaniline | 2 - N-[(E)-(2-morpholin-4-yl-1,3-thiazol-5-yl)methylideneamino]-2-phenoxyaniline
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off