(E)-3-phenyl-N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)prop-2-enamide
Formula:C19H14N2OS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-phenyl-N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)prop-2-enamide is a drug-like molecule.
| MolName | (E)-3-phenyl-N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)prop-2-enamide |
| MolecularFormula | C19H14N2OS2 |
| Smiles | O=C(/C=C/c1ccccc1)Nc1nc(-c(cccc2)c2SC2)c2s1 |
| InChI | InChI=1S/C19H14N2OS2/c22-17(11-10-13-6-2-1-3-7-13)20-19-21-18-14-8-4-5-9-15(14)23-12-16(18)24-19/h1-11H,12H2,(H,20,21,22) |
| InChIK | ANEUDBCWZQOAPR-UHFFFAOYSA-N |
| TotalMolweight | 350.465 |
| Molweight | 350.465 |
| MonoisotopicMass | 350.054753 |
| CLogP | 4.4813 |
| CLogS | -6.462 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 260.94 |
| Relative PSA | 0.28098 |
| PolarSurfaceArea | 95.53 |
| Druglikeness | 1.366 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! thiazol-2-ylamine |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - (E)-3-phenyl-N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)prop-2-enamide | 2 - (E)-3-phenyl-N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)prop-2-enamide
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