(2E)-N-(4-chloroanilino)-4-(4-chlorophenyl)-1,3-thiazole-2-carboximidoyl cyanide
Formula:C17H10N4Cl2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(2E)-N-(4-chloroanilino)-4-(4-chlorophenyl)-1,3-thiazole-2-carboximidoyl cyanide is not a drug-like molecule.
| MolName | (2E)-N-(4-chloroanilino)-4-(4-chlorophenyl)-1,3-thiazole-2-carboximidoyl cyanide |
| MolecularFormula | C17H10N4Cl2S |
| Smiles | N#C/C(/c1nc(-c(cc2)ccc2Cl)cs1)=N\Nc(cc1)ccc1Cl |
| InChI | InChI=1S/C17H10Cl2N4S/c18-12-3-1-11(2-4-12)16-10-24-17(21-16)15(9-20)23-22-14-7-5-13(19)6-8-14/h1-8,10,22H |
| InChIK | VTPRHIOEXZRCJP-UHFFFAOYSA-N |
| TotalMolweight | 373.266 |
| Molweight | 373.266 |
| MonoisotopicMass | 372.00032 |
| CLogP | 5.8167 |
| CLogS | -5.937 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 274.46 |
| Relative PSA | 0.24725 |
| PolarSurfaceArea | 89.31 |
| Druglikeness | -0.35901 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (2E)-N-(4-chloroanilino)-4-(4-chlorophenyl)-1,3-thiazole-2-carboximidoyl cyanide | 2 - (2E)-N-(4-chloroanilino)-4-(4-chlorophenyl)-1,3-thiazole-2-carboximidoyl cyanide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off