[(Z)-2-(2,4-dioxopyrimidin-1-yl)ethylideneamino]thiourea
Formula:C7H9N5O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(Z)-2-(2,4-dioxopyrimidin-1-yl)ethylideneamino]thiourea is a drug-like molecule.
| MolName | [(Z)-2-(2,4-dioxopyrimidin-1-yl)ethylideneamino]thiourea |
| MolecularFormula | C7H9N5O2S |
| Smiles | NC(N/N=C\CN(C=CC(N1)=O)C1=O)=S |
| InChI | InChI=1S/C7H9N5O2S/c8-6(15)11-9-2-4-12-3-1-5(13)10-7(12)14/h1-3H,4H2,(H3,8,11,15)(H,10,13,14) |
| InChIK | FTVLTWYIRYOAMD-UHFFFAOYSA-N |
| TotalMolweight | 227.247 |
| Molweight | 227.247 |
| MonoisotopicMass | 227.047695 |
| CLogP | -1.5819 |
| CLogS | -1.856 |
| H Acceptors | 7 |
| H Donors | 3 |
| TotalSurfaceArea | 174.97 |
| Relative PSA | 0.61342 |
| PolarSurfaceArea | 131.91 |
| Druglikeness | 2.8343 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde; thio-amide/urea |
| Shape Index | 0.73333 |
| Fragments | 1 |
| Non HAtoms | 15 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 3 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Sp3Atoms | 2 |
| Amides | 2 |
| StereoCon |
Click to Load Molecule:
1 - [(Z)-2-(2,4-dioxopyrimidin-1-yl)ethylideneamino]thiourea | 2 - [(Z)-2-(2,4-dioxopyrimidin-1-yl)ethylideneamino]thiourea
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off