[(E)-1,2-thiazol-5-ylmethylideneamino]thiourea
Formula:C5H6N4S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(E)-1,2-thiazol-5-ylmethylideneamino]thiourea is a drug-like molecule.
| MolName | [(E)-1,2-thiazol-5-ylmethylideneamino]thiourea |
| MolecularFormula | C5H6N4S2 |
| Smiles | NC(N/N=C/c1ccns1)=S |
| InChI | InChI=1S/C5H6N4S2/c6-5(10)9-7-3-4-1-2-8-11-4/h1-3H,(H3,6,9,10) |
| InChIK | IGMDTQLCQVZJBC-UHFFFAOYSA-N |
| TotalMolweight | 186.263 |
| Molweight | 186.263 |
| MonoisotopicMass | 186.003386 |
| CLogP | 0.8899 |
| CLogS | -1.248 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 145.41 |
| Relative PSA | 0.671 |
| PolarSurfaceArea | 123.63 |
| Druglikeness | 3.2605 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde; thio-amide/urea |
| Shape Index | 0.72727 |
| Fragments | 1 |
| Non HAtoms | 11 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 2 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3Atoms | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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