(E)-3-(1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)prop-2-enamide
Formula:C15H12N2O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-(1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)prop-2-enamide is a drug-like molecule.
| MolName | (E)-3-(1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)prop-2-enamide |
| MolecularFormula | C15H12N2O2S |
| Smiles | O=C(/C=C/c1nc(cccc2)c2s1)NCc1ccco1 |
| InChI | InChI=1S/C15H12N2O2S/c18-14(16-10-11-4-3-9-19-11)7-8-15-17-12-5-1-2-6-13(12)20-15/h1-9H,10H2,(H,16,18) |
| InChIK | WCBNAEDHVYZDOD-UHFFFAOYSA-N |
| TotalMolweight | 284.338 |
| Molweight | 284.338 |
| MonoisotopicMass | 284.061948 |
| CLogP | 2.0416 |
| CLogS | -3.26 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 221.48 |
| Relative PSA | 0.31578 |
| PolarSurfaceArea | 83.37 |
| Druglikeness | 1.4878 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.65 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 14 |
| Sp3Atoms | 1 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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