N-[(Z)-(4-fluorophenyl)methylideneamino]-2-(2-morpholin-4-yl-1,3-thiazol-4-yl)acetamide
Formula:C16H17N4O2FS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-fluorophenyl)methylideneamino]-2-(2-morpholin-4-yl-1,3-thiazol-4-yl)acetamide is a drug-like molecule.
| MolName | N-[(Z)-(4-fluorophenyl)methylideneamino]-2-(2-morpholin-4-yl-1,3-thiazol-4-yl)acetamide |
| MolecularFormula | C16H17N4O2FS |
| Smiles | O=C(Cc1csc(N2CCOCC2)n1)N/N=C\c(cc1)ccc1F |
| InChI | InChI=1S/C16H17FN4O2S/c17-13-3-1-12(2-4-13)10-18-20-15(22)9-14-11-24-16(19-14)21-5-7-23-8-6-21/h1-4,10-11H,5-9H2,(H,20,22) |
| InChIK | IGJSJSQDHSUTAK-UHFFFAOYSA-N |
| TotalMolweight | 348.401 |
| Molweight | 348.401 |
| MonoisotopicMass | 348.105624 |
| CLogP | 2.6488 |
| CLogS | -3.86 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 263.64 |
| Relative PSA | 0.30682 |
| PolarSurfaceArea | 95.06 |
| Druglikeness | 4.8814 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.70833 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 6 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - N-[(Z)-(4-fluorophenyl)methylideneamino]-2-(2-morpholin-4-yl-1,3-thiazol-4-yl)acetamide | 2 - N-[(Z)-(4-fluorophenyl)methylideneamino]-2-(2-morpholin-4-yl-1,3-thiazol-4-yl)acetamide
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