[(Z)-[1-(3-aminophenyl)imidazol-2-yl]methylideneamino]thiourea
Formula:C11H12N6S
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
[(Z)-[1-(3-aminophenyl)imidazol-2-yl]methylideneamino]thiourea is a drug-like molecule.
| MolName | [(Z)-[1-(3-aminophenyl)imidazol-2-yl]methylideneamino]thiourea |
| MolecularFormula | C11H12N6S |
| Smiles | NC(N/N=C\c1nccn1-c1cc(N)ccc1)=S |
| InChI | InChI=1S/C11H12N6S/c12-8-2-1-3-9(6-8)17-5-4-14-10(17)7-15-16-11(13)18/h1-7H,12H2,(H3,13,16,18) |
| InChIK | UQWVLMJROWDNML-UHFFFAOYSA-N |
| TotalMolweight | 260.324 |
| Molweight | 260.324 |
| MonoisotopicMass | 260.084414 |
| CLogP | 0.3668 |
| CLogS | -4.362 |
| H Acceptors | 6 |
| H Donors | 3 |
| TotalSurfaceArea | 206.95 |
| Relative PSA | 0.48007 |
| PolarSurfaceArea | 126.34 |
| Druglikeness | 3.334 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | imine/hydrazone of aldehyde; thio-amide/urea |
| Shape Index | 0.61111 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 1 |
| Amines | 1 |
| Aromatic Amines | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon |
Click to Load Molecule:
1 - [(Z)-[1-(3-aminophenyl)imidazol-2-yl]methylideneamino]thiourea | 2 - [(Z)-[1-(3-aminophenyl)imidazol-2-yl]methylideneamino]thiourea
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off