(E)-3-(3-chloroanilino)-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
Formula:C18H11N3ClFS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-(3-chloroanilino)-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile is a drug-like molecule.
| MolName | (E)-3-(3-chloroanilino)-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile |
| MolecularFormula | C18H11N3ClFS |
| Smiles | N#C/C(/c1nc(-c(cc2)ccc2F)cs1)=C\Nc1cccc(Cl)c1 |
| InChI | InChI=1S/C18H11ClFN3S/c19-14-2-1-3-16(8-14)22-10-13(9-21)18-23-17(11-24-18)12-4-6-15(20)7-5-12/h1-8,10-11,22H |
| InChIK | AXUOAJLEGPVLDX-UHFFFAOYSA-N |
| TotalMolweight | 355.823 |
| Molweight | 355.823 |
| MonoisotopicMass | 355.034622 |
| CLogP | 3.7904 |
| CLogS | -5.433 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 267.13 |
| Relative PSA | 0.21095 |
| PolarSurfaceArea | 76.95 |
| Druglikeness | -2.9692 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (E)-3-(3-chloroanilino)-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile | 2 - (E)-3-(3-chloroanilino)-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off