(2Z)-N-anilino-4-phenyl-1,3-thiazole-2-carboximidoyl cyanide
Formula:C17H12N4S
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
(2Z)-N-anilino-4-phenyl-1,3-thiazole-2-carboximidoyl cyanide is a drug-like molecule.
| MolName | (2Z)-N-anilino-4-phenyl-1,3-thiazole-2-carboximidoyl cyanide |
| MolecularFormula | C17H12N4S |
| Smiles | N#C/C(/c1nc(-c2ccccc2)cs1)=N/Nc1ccccc1 |
| InChI | InChI=1S/C17H12N4S/c18-11-15(21-20-14-9-5-2-6-10-14)17-19-16(12-22-17)13-7-3-1-4-8-13/h1-10,12,20H |
| InChIK | SIEFDCVDNKRXFY-UHFFFAOYSA-N |
| TotalMolweight | 304.376 |
| Molweight | 304.376 |
| MonoisotopicMass | 304.078266 |
| CLogP | 4.6047 |
| CLogS | -4.465 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 243.62 |
| Relative PSA | 0.27855 |
| PolarSurfaceArea | 89.31 |
| Druglikeness | -0.37986 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| 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 - (2Z)-N-anilino-4-phenyl-1,3-thiazole-2-carboximidoyl cyanide | 2 - (2Z)-N-anilino-4-phenyl-1,3-thiazole-2-carboximidoyl cyanide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off