(E)-3-phenyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)prop-2-enamide
Formula:C17H13N3OS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-phenyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)prop-2-enamide is a drug-like molecule.
| MolName | (E)-3-phenyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)prop-2-enamide |
| MolecularFormula | C17H13N3OS |
| Smiles | O=C(/C=C/c1ccccc1)Nc1nc(-c2ccncc2)cs1 |
| InChI | InChI=1S/C17H13N3OS/c21-16(7-6-13-4-2-1-3-5-13)20-17-19-15(12-22-17)14-8-10-18-11-9-14/h1-12H,(H,19,20,21) |
| InChIK | LMYLGRCCWYXICQ-UHFFFAOYSA-N |
| TotalMolweight | 307.376 |
| Molweight | 307.376 |
| MonoisotopicMass | 307.077932 |
| CLogP | 3.5109 |
| CLogS | -4.214 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 241.95 |
| Relative PSA | 0.27609 |
| PolarSurfaceArea | 83.12 |
| Druglikeness | 1.3439 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! thiazol-2-ylamine |
| Shape Index | 0.68182 |
| Fragments | 1 |
| Non HAtoms | 22 |
| 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 | 2 |
| StereoCon |
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