(5Z)-3-[(Z)-(2,4-dichlorophenyl)methylideneamino]-5-(pyridin-3-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C16H9N3OCl2S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-3-[(Z)-(2,4-dichlorophenyl)methylideneamino]-5-(pyridin-3-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (5Z)-3-[(Z)-(2,4-dichlorophenyl)methylideneamino]-5-(pyridin-3-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C16H9N3OCl2S2 |
| Smiles | O=C(/C(/SC1=S)=C/c2cnccc2)N1/N=C\c(ccc(Cl)c1)c1Cl |
| InChI | InChI=1S/C16H9Cl2N3OS2/c17-12-4-3-11(13(18)7-12)9-20-21-15(22)14(24-16(21)23)6-10-2-1-5-19-8-10/h1-9H |
| InChIK | NWAFARNRZPKFSS-UHFFFAOYSA-N |
| TotalMolweight | 394.305 |
| Molweight | 394.305 |
| MonoisotopicMass | 392.956406 |
| CLogP | 3.2663 |
| CLogS | -5.772 |
| H Acceptors | 4 |
| TotalSurfaceArea | 276.84 |
| Relative PSA | 0.30545 |
| PolarSurfaceArea | 102.95 |
| Druglikeness | 4.8666 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (5Z)-3-[(Z)-(2,4-dichlorophenyl)methylideneamino]-5-(pyridin-3-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5Z)-3-[(Z)-(2,4-dichlorophenyl)methylideneamino]-5-(pyridin-3-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off