[(Z)-(5-amino-1,3,4-thiadiazol-2-yl)methylideneamino]thiourea
Formula:C4H6N6S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
[(Z)-(5-amino-1,3,4-thiadiazol-2-yl)methylideneamino]thiourea is a drug-like molecule.
| MolName | [(Z)-(5-amino-1,3,4-thiadiazol-2-yl)methylideneamino]thiourea |
| MolecularFormula | C4H6N6S2 |
| Smiles | NC(N/N=C\c1nnc(N)s1)=S |
| InChI | InChI=1S/C4H6N6S2/c5-3(11)9-7-1-2-8-10-4(6)12-2/h1H,(H2,6,10)(H3,5,9,11) |
| InChIK | OYMAFAHKWBGNFF-UHFFFAOYSA-N |
| TotalMolweight | 202.266 |
| Molweight | 202.266 |
| MonoisotopicMass | 202.009534 |
| CLogP | -0.3023 |
| CLogS | -2.181 |
| H Acceptors | 6 |
| H Donors | 3 |
| TotalSurfaceArea | 152.69 |
| Relative PSA | 0.81086 |
| PolarSurfaceArea | 162.54 |
| Druglikeness | 3.7893 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde; thio-amide/urea |
| Shape Index | 0.75 |
| Fragments | 1 |
| Non HAtoms | 12 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 2 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3Atoms | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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