4-[(Z)-[4-[4-(difluoromethoxy)phenyl]-2-(2-morpholin-4-ylethylimino)-1,3-thiazol-3-yl]iminomethyl]benzonitrile
Formula:C24H23N5O2F2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
4-[(Z)-[4-[4-(difluoromethoxy)phenyl]-2-(2-morpholin-4-ylethylimino)-1,3-thiazol-3-yl]iminomethyl]benzonitrile is a drug-like molecule.
| MolName | 4-[(Z)-[4-[4-(difluoromethoxy)phenyl]-2-(2-morpholin-4-ylethylimino)-1,3-thiazol-3-yl]iminomethyl]benzonitrile |
| MolecularFormula | C24H23N5O2F2S |
| Smiles | N#Cc1ccc(/C=N\N(C(c(cc2)ccc2OC(F)F)=CS2)/C2=N/CCN2CCOCC2)cc1 |
| InChI | InChI=1S/C24H23F2N5O2S/c25-23(26)33-21-7-5-20(6-8-21)22-17-34-24(28-9-10-30-11-13-32-14-12-30)31(22)29-16-19-3-1-18(15-27)2-4-19/h1-8,16-17,23H,9-14H2 |
| InChIK | CQMATPPDMXZDLV-UHFFFAOYSA-N |
| TotalMolweight | 483.542 |
| Molweight | 483.542 |
| MonoisotopicMass | 483.154051 |
| CLogP | 3.7238 |
| CLogS | -5.357 |
| H Acceptors | 7 |
| TotalSurfaceArea | 366.02 |
| Relative PSA | 0.22176 |
| PolarSurfaceArea | 98.75 |
| Druglikeness | -1.2994 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 8 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 11 |
| Symmetricatoms | 7 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 2 |
| StereoCon |
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1 - 4-[(Z)-[4-[4-(difluoromethoxy)phenyl]-2-(2-morpholin-4-ylethylimino)-1,3-thiazol-3-yl]iminomethyl]benzonitrile | 2 - 4-[(Z)-[4-[4-(difluoromethoxy)phenyl]-2-(2-morpholin-4-ylethylimino)-1,3-thiazol-3-yl]iminomethyl]benzonitrile
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