1-(diaminomethylidene)-2-(1,3-thiazol-2-yl)guanidine
Formula:C5H8N6S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-(diaminomethylidene)-2-(1,3-thiazol-2-yl)guanidine is a drug-like molecule.
| MolName | 1-(diaminomethylidene)-2-(1,3-thiazol-2-yl)guanidine |
| MolecularFormula | C5H8N6S |
| Smiles | NC(N)=N/C(/N)=N\c1nccs1 |
| InChI | InChI=1S/C5H8N6S/c6-3(7)10-4(8)11-5-9-1-2-12-5/h1-2H,(H6,6,7,8,9,10,11) |
| InChIK | QYTORGOOJMNRFB-UHFFFAOYSA-N |
| TotalMolweight | 184.227 |
| Molweight | 184.227 |
| MonoisotopicMass | 184.053114 |
| CLogP | -0.693 |
| CLogS | -2.35 |
| H Acceptors | 6 |
| H Donors | 3 |
| TotalSurfaceArea | 139.46 |
| Relative PSA | 0.7182 |
| PolarSurfaceArea | 143.91 |
| Druglikeness | 0.55318 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 12 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 1 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Symmetricatoms | 1 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 2 |
| StereoCon |
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