(E)-N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-thiophen-2-ylprop-2-enamide
Formula:C17H13N2OFS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-thiophen-2-ylprop-2-enamide is a drug-like molecule.
| MolName | (E)-N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-thiophen-2-ylprop-2-enamide |
| MolecularFormula | C17H13N2OFS2 |
| Smiles | O=C(/C=C/c1cccs1)Nc1ncc(Cc(cccc2)c2F)s1 |
| InChI | InChI=1S/C17H13FN2OS2/c18-15-6-2-1-4-12(15)10-14-11-19-17(23-14)20-16(21)8-7-13-5-3-9-22-13/h1-9,11H,10H2,(H,19,20,21) |
| InChIK | FXCWJBAXQVTKKG-UHFFFAOYSA-N |
| TotalMolweight | 344.433 |
| Molweight | 344.433 |
| MonoisotopicMass | 344.045331 |
| CLogP | 4.6271 |
| CLogS | -5.376 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 259.24 |
| Relative PSA | 0.2939 |
| PolarSurfaceArea | 98.47 |
| Druglikeness | 0.63099 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! thiazol-2-ylamine |
| Shape Index | 0.65217 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 1 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - (E)-N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-thiophen-2-ylprop-2-enamide | 2 - (E)-N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-thiophen-2-ylprop-2-enamide
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