(E)-N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-3-thiophen-2-ylprop-2-enamide
Formula:C18H14N2O3S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-3-thiophen-2-ylprop-2-enamide is a drug-like molecule.
| MolName | (E)-N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-3-thiophen-2-ylprop-2-enamide |
| MolecularFormula | C18H14N2O3S2 |
| Smiles | O=C(/C=C/c1cccs1)Nc1nc(-c(cc2)cc3c2OCCO3)cs1 |
| InChI | InChI=1S/C18H14N2O3S2/c21-17(6-4-13-2-1-9-24-13)20-18-19-14(11-25-18)12-3-5-15-16(10-12)23-8-7-22-15/h1-6,9-11H,7-8H2,(H,19,20,21) |
| InChIK | RNYBKXCNJWBXQR-UHFFFAOYSA-N |
| TotalMolweight | 370.452 |
| Molweight | 370.452 |
| MonoisotopicMass | 370.044583 |
| CLogP | 4.3572 |
| CLogS | -5.201 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 273.15 |
| Relative PSA | 0.35215 |
| PolarSurfaceArea | 116.93 |
| Druglikeness | -4.3216 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! thiazol-2-ylamine |
| Shape Index | 0.64 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 4 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - (E)-N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-3-thiophen-2-ylprop-2-enamide | 2 - (E)-N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-3-thiophen-2-ylprop-2-enamide
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