N'-hydroxy-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboximidamide
Formula:C7H8N4O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N'-hydroxy-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboximidamide is a drug-like molecule.
| MolName | N'-hydroxy-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboximidamide |
| MolecularFormula | C7H8N4O2S |
| Smiles | N/C(/C1=CN=C2SCCN2C1=O)=N\O |
| InChI | InChI=1S/C7H8N4O2S/c8-5(10-13)4-3-9-7-11(6(4)12)1-2-14-7/h3,13H,1-2H2,(H2,8,10) |
| InChIK | HKRLUKTYNHNNNP-UHFFFAOYSA-N |
| TotalMolweight | 212.233 |
| Molweight | 212.233 |
| MonoisotopicMass | 212.036796 |
| CLogP | -0.9284 |
| CLogS | -1.703 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 145.08 |
| Relative PSA | 0.58912 |
| PolarSurfaceArea | 116.58 |
| Druglikeness | 4.1099 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 14 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 1 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Sp3Atoms | 4 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - N'-hydroxy-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboximidamide | 2 - N'-hydroxy-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboximidamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off