(E)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-(4-nitrophenyl)prop-2-enamide
Formula:C15H13N3O3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-(4-nitrophenyl)prop-2-enamide is a drug-like molecule.
| MolName | (E)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-(4-nitrophenyl)prop-2-enamide |
| MolecularFormula | C15H13N3O3S |
| Smiles | [O-][N+](c1ccc(/C=C/C(Nc2nc(CCC3)c3s2)=O)cc1)=O |
| InChI | InChI=1S/C15H13N3O3S/c19-14(17-15-16-12-2-1-3-13(12)22-15)9-6-10-4-7-11(8-5-10)18(20)21/h4-9H,1-3H2,(H,16,17,19) |
| InChIK | MHYYRUCYLVSLHR-UHFFFAOYSA-N |
| TotalMolweight | 315.352 |
| Molweight | 315.352 |
| MonoisotopicMass | 315.067762 |
| CLogP | 2.791 |
| CLogS | -4.647 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 234.88 |
| Relative PSA | 0.36721 |
| PolarSurfaceArea | 116.05 |
| Druglikeness | -6.3308 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; limit! thiazol-2-ylamine |
| Shape Index | 0.68182 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - (E)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-(4-nitrophenyl)prop-2-enamide | 2 - (E)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-(4-nitrophenyl)prop-2-enamide
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