2-(2-morpholin-4-yl-1,3-thiazol-4-yl)-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]acetamide
Formula:C17H17N4O2F3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(2-morpholin-4-yl-1,3-thiazol-4-yl)-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-(2-morpholin-4-yl-1,3-thiazol-4-yl)-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]acetamide |
| MolecularFormula | C17H17N4O2F3S |
| Smiles | O=C(Cc1csc(N2CCOCC2)n1)N/N=C\c1ccc(C(F)(F)F)cc1 |
| InChI | InChI=1S/C17H17F3N4O2S/c18-17(19,20)13-3-1-12(2-4-13)10-21-23-15(25)9-14-11-27-16(22-14)24-5-7-26-8-6-24/h1-4,10-11H,5-9H2,(H,23,25) |
| InChIK | ZHXVSCBJIVQABK-UHFFFAOYSA-N |
| TotalMolweight | 398.408 |
| Molweight | 398.408 |
| MonoisotopicMass | 398.10243 |
| CLogP | 3.3963 |
| CLogS | -4.324 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 286.75 |
| Relative PSA | 0.28209 |
| PolarSurfaceArea | 95.06 |
| Druglikeness | -0.9686 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 7 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 2-(2-morpholin-4-yl-1,3-thiazol-4-yl)-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]acetamide | 2 - 2-(2-morpholin-4-yl-1,3-thiazol-4-yl)-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]acetamide
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