(E)-N-[5-[(3-nitrophenyl)methyl]-1,3-thiazol-2-yl]-3-thiophen-2-ylprop-2-enamide
Formula:C17H13N3O3S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-N-[5-[(3-nitrophenyl)methyl]-1,3-thiazol-2-yl]-3-thiophen-2-ylprop-2-enamide is a drug-like molecule.
| MolName | (E)-N-[5-[(3-nitrophenyl)methyl]-1,3-thiazol-2-yl]-3-thiophen-2-ylprop-2-enamide |
| MolecularFormula | C17H13N3O3S2 |
| Smiles | [O-][N+](c1cccc(Cc2cnc(NC(/C=C/c3cccs3)=O)s2)c1)=O |
| InChI | InChI=1S/C17H13N3O3S2/c21-16(7-6-14-5-2-8-24-14)19-17-18-11-15(25-17)10-12-3-1-4-13(9-12)20(22)23/h1-9,11H,10H2,(H,18,19,21) |
| InChIK | UXKXKGGVBWNNIN-UHFFFAOYSA-N |
| TotalMolweight | 371.44 |
| Molweight | 371.44 |
| MonoisotopicMass | 371.039832 |
| CLogP | 3.6047 |
| CLogS | -5.522 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 276.56 |
| Relative PSA | 0.38549 |
| PolarSurfaceArea | 144.29 |
| Druglikeness | -3.0607 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; limit! thiazol-2-ylamine |
| Shape Index | 0.64 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - (E)-N-[5-[(3-nitrophenyl)methyl]-1,3-thiazol-2-yl]-3-thiophen-2-ylprop-2-enamide | 2 - (E)-N-[5-[(3-nitrophenyl)methyl]-1,3-thiazol-2-yl]-3-thiophen-2-ylprop-2-enamide
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