(E)-N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)-3-thiophen-2-ylprop-2-enamide
Formula:C17H12N2OS3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)-3-thiophen-2-ylprop-2-enamide is a drug-like molecule.
| MolName | (E)-N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)-3-thiophen-2-ylprop-2-enamide |
| MolecularFormula | C17H12N2OS3 |
| Smiles | O=C(/C=C/c1cccs1)Nc1nc(-c(cccc2)c2SC2)c2s1 |
| InChI | InChI=1S/C17H12N2OS3/c20-15(8-7-11-4-3-9-21-11)18-17-19-16-12-5-1-2-6-13(12)22-10-14(16)23-17/h1-9H,10H2,(H,18,19,20) |
| InChIK | YVIIWALQGDSSIN-UHFFFAOYSA-N |
| TotalMolweight | 356.493 |
| Molweight | 356.493 |
| MonoisotopicMass | 356.011173 |
| CLogP | 4.3479 |
| CLogS | -6.472 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 256.88 |
| Relative PSA | 0.36468 |
| PolarSurfaceArea | 123.77 |
| Druglikeness | 2.0998 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! thiazol-2-ylamine |
| Shape Index | 0.6087 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - (E)-N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)-3-thiophen-2-ylprop-2-enamide | 2 - (E)-N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)-3-thiophen-2-ylprop-2-enamide
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