[(Z)-(5-quinolin-8-ylsulfanylfuran-2-yl)methylideneamino]thiourea
Formula:C15H12N4OS2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
[(Z)-(5-quinolin-8-ylsulfanylfuran-2-yl)methylideneamino]thiourea is a drug-like molecule.
| MolName | [(Z)-(5-quinolin-8-ylsulfanylfuran-2-yl)methylideneamino]thiourea |
| MolecularFormula | C15H12N4OS2 |
| Smiles | NC(N/N=C\c(o1)ccc1Sc1cccc2cccnc12)=S |
| InChI | InChI=1S/C15H12N4OS2/c16-15(21)19-18-9-11-6-7-13(20-11)22-12-5-1-3-10-4-2-8-17-14(10)12/h1-9H,(H3,16,19,21) |
| InChIK | HYBMPBLDCBZMKL-UHFFFAOYSA-N |
| TotalMolweight | 328.419 |
| Molweight | 328.419 |
| MonoisotopicMass | 328.045251 |
| CLogP | 2.9552 |
| CLogS | -4.835 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 251.01 |
| Relative PSA | 0.43349 |
| PolarSurfaceArea | 133.83 |
| Druglikeness | 4.7361 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde; thio-amide/urea |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - [(Z)-(5-quinolin-8-ylsulfanylfuran-2-yl)methylideneamino]thiourea | 2 - [(Z)-(5-quinolin-8-ylsulfanylfuran-2-yl)methylideneamino]thiourea
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off