(E)-N-[5-[(3,4-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-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-3-thiophen-2-ylprop-2-enamide is not a drug-like molecule.
| MolName | (E)-N-[5-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-3-thiophen-2-ylprop-2-enamide |
| MolecularFormula | C17H12N2OCl2S2 |
| Smiles | O=C(/C=C/c1cccs1)Nc1ncc(Cc(cc2)cc(Cl)c2Cl)s1 |
| InChI | InChI=1S/C17H12Cl2N2OS2/c18-14-5-3-11(9-15(14)19)8-13-10-20-17(24-13)21-16(22)6-4-12-2-1-7-23-12/h1-7,9-10H,8H2,(H,20,21,22) |
| InChIK | DOVOHIJLYXAMAJ-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 | 0.66667 |
| 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 |
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1 - (E)-N-[5-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-3-thiophen-2-ylprop-2-enamide | 2 - (E)-N-[5-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-3-thiophen-2-ylprop-2-enamide
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