(E)-N-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]-3-phenylprop-2-enamide
Formula:C19H13N3OS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-N-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]-3-phenylprop-2-enamide is a drug-like molecule.
| MolName | (E)-N-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]-3-phenylprop-2-enamide |
| MolecularFormula | C19H13N3OS |
| Smiles | N#Cc(cc1)ccc1-c1csc(NC(/C=C/c2ccccc2)=O)n1 |
| InChI | InChI=1S/C19H13N3OS/c20-12-15-6-9-16(10-7-15)17-13-24-19(21-17)22-18(23)11-8-14-4-2-1-3-5-14/h1-11,13H,(H,21,22,23) |
| InChIK | PMMJTLMQROGMKE-UHFFFAOYSA-N |
| TotalMolweight | 331.398 |
| Molweight | 331.398 |
| MonoisotopicMass | 331.077932 |
| CLogP | 4.3474 |
| CLogS | -5.782 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 264.9 |
| Relative PSA | 0.26195 |
| PolarSurfaceArea | 94.02 |
| Druglikeness | -2.9361 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! thiazol-2-ylamine |
| Shape Index | 0.70833 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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