(E)-N-[5-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-3-phenylprop-2-enamide
Formula:C23H23N5O2S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-N-[5-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-3-phenylprop-2-enamide is a drug-like molecule.
| MolName | (E)-N-[5-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-3-phenylprop-2-enamide |
| MolecularFormula | C23H23N5O2S2 |
| Smiles | O=C(CSc1nnc(NC(/C=C/c2ccccc2)=O)s1)N(CC1)CCN1c1ccccc1 |
| InChI | InChI=1S/C23H23N5O2S2/c29-20(12-11-18-7-3-1-4-8-18)24-22-25-26-23(32-22)31-17-21(30)28-15-13-27(14-16-28)19-9-5-2-6-10-19/h1-12H,13-17H2,(H,24,25,29) |
| InChIK | WJHQQVVEBRWPPW-UHFFFAOYSA-N |
| TotalMolweight | 465.601 |
| Molweight | 465.601 |
| MonoisotopicMass | 465.129315 |
| CLogP | 3.9657 |
| CLogS | -4.876 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 353.09 |
| Relative PSA | 0.29576 |
| PolarSurfaceArea | 131.97 |
| Druglikeness | 7.1908 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6875 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 6 |
| Symmetricatoms | 6 |
| Amides | 2 |
| Amines | 1 |
| Aromatic Amines | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon |
Click to Load Molecule:
1 - (E)-N-[5-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-3-phenylprop-2-enamide | 2 - (E)-N-[5-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-3-phenylprop-2-enamide
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