(E)-N-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-3-thiophen-2-ylprop-2-enamide
Formula:C17H11N3OS3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-N-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-3-thiophen-2-ylprop-2-enamide is a drug-like molecule.
| MolName | (E)-N-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-3-thiophen-2-ylprop-2-enamide |
| MolecularFormula | C17H11N3OS3 |
| Smiles | O=C(/C=C/c1cccs1)Nc1nc(-c2nc(cccc3)c3s2)cs1 |
| InChI | InChI=1S/C17H11N3OS3/c21-15(8-7-11-4-3-9-22-11)20-17-19-13(10-23-17)16-18-12-5-1-2-6-14(12)24-16/h1-10H,(H,19,20,21) |
| InChIK | DFRHIYJYMYMBPY-UHFFFAOYSA-N |
| TotalMolweight | 369.492 |
| Molweight | 369.492 |
| MonoisotopicMass | 369.006422 |
| CLogP | 4.5514 |
| CLogS | -4.494 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 268.43 |
| Relative PSA | 0.40055 |
| PolarSurfaceArea | 139.6 |
| Druglikeness | 3.21 |
| 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 | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 19 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - (E)-N-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-3-thiophen-2-ylprop-2-enamide | 2 - (E)-N-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-3-thiophen-2-ylprop-2-enamide
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