(E)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
Formula:C17H15N2OF3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide is a drug-like molecule.
| MolName | (E)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide |
| MolecularFormula | C17H15N2OF3S |
| Smiles | O=C(/C=C/c1cc(C(F)(F)F)ccc1)Nc1nc(CCCC2)c2s1 |
| InChI | InChI=1S/C17H15F3N2OS/c18-17(19,20)12-5-3-4-11(10-12)8-9-15(23)22-16-21-13-6-1-2-7-14(13)24-16/h3-5,8-10H,1-2,6-7H2,(H,21,22,23) |
| InChIK | DAVSEBVTLDRXGV-UHFFFAOYSA-N |
| TotalMolweight | 352.379 |
| Molweight | 352.379 |
| MonoisotopicMass | 352.085717 |
| CLogP | 4.9029 |
| CLogS | -5.235 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 254.43 |
| Relative PSA | 0.21943 |
| PolarSurfaceArea | 70.23 |
| Druglikeness | -10.812 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! thiazol-2-ylamine |
| Shape Index | 0.58333 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - (E)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide | 2 - (E)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
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