(E)-N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-3-thiophen-2-ylprop-2-enamide
Formula:C17H12N2OCl2S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-3-thiophen-2-ylprop-2-enamide is not a drug-like molecule.
| MolName | (E)-N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-3-thiophen-2-ylprop-2-enamide |
| MolecularFormula | C17H12N2OCl2S2 |
| Smiles | O=C(/C=C/c1cccs1)Nc1ncc(Cc2cccc(Cl)c2Cl)s1 |
| InChI | InChI=1S/C17H12Cl2N2OS2/c18-14-5-1-3-11(16(14)19)9-13-10-20-17(24-13)21-15(22)7-6-12-4-2-8-23-12/h1-8,10H,9H2,(H,20,21,22) |
| InChIK | OAORMVPLRKXLBS-UHFFFAOYSA-N |
| TotalMolweight | 395.333 |
| Molweight | 395.333 |
| MonoisotopicMass | 393.976807 |
| CLogP | 5.7383 |
| CLogS | -6.534 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 283.73 |
| Relative PSA | 0.26853 |
| PolarSurfaceArea | 98.47 |
| Druglikeness | 2.032 |
| 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 | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 1 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (E)-N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-3-thiophen-2-ylprop-2-enamide | 2 - (E)-N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-3-thiophen-2-ylprop-2-enamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off