1-(furan-2-ylmethyl)-3-[(Z)-[(2Z)-2-(furan-2-ylmethylcarbamothioylhydrazinylidene)ethylidene]amino]thiourea
Formula:C14H16N6O2S2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:high
1-(furan-2-ylmethyl)-3-[(Z)-[(2Z)-2-(furan-2-ylmethylcarbamothioylhydrazinylidene)ethylidene]amino]thiourea is a drug-like molecule.
| MolName | 1-(furan-2-ylmethyl)-3-[(Z)-[(2Z)-2-(furan-2-ylmethylcarbamothioylhydrazinylidene)ethylidene]amino]thiourea |
| MolecularFormula | C14H16N6O2S2 |
| Smiles | S=C(NCc1ccco1)N/N=C\C=N/NC(NCc1ccco1)=S |
| InChI | InChI=1S/C14H16N6O2S2/c23-13(15-9-11-3-1-7-21-11)19-17-5-6-18-20-14(24)16-10-12-4-2-8-22-12/h1-8H,9-10H2,(H2,15,19,23)(H2,16,20,24) |
| InChIK | RNYPJBDPXTUYQQ-UHFFFAOYSA-N |
| TotalMolweight | 364.453 |
| Molweight | 364.453 |
| MonoisotopicMass | 364.077614 |
| CLogP | 0.494 |
| CLogS | -4.158 |
| H Acceptors | 8 |
| H Donors | 4 |
| TotalSurfaceArea | 300.7 |
| Relative PSA | 0.50908 |
| PolarSurfaceArea | 163.3 |
| Druglikeness | 2.5724 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde; thio-amide/urea |
| Shape Index | 0.75 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 10 |
| Sp3Atoms | 4 |
| Symmetricatoms | 12 |
| StereoCon |
Click to Load Molecule:
1 - 1-(furan-2-ylmethyl)-3-[(Z)-[(2Z)-2-(furan-2-ylmethylcarbamothioylhydrazinylidene)ethylidene]amino]thiourea | 2 - 1-(furan-2-ylmethyl)-3-[(Z)-[(2Z)-2-(furan-2-ylmethylcarbamothioylhydrazinylidene)ethylidene]amino]thiourea
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off