1,3-bis[(Z)-pyridin-4-ylmethylideneamino]thiourea
Formula:C13H12N6S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
1,3-bis[(Z)-pyridin-4-ylmethylideneamino]thiourea is a drug-like molecule.
| MolName | 1,3-bis[(Z)-pyridin-4-ylmethylideneamino]thiourea |
| MolecularFormula | C13H12N6S |
| Smiles | S=C(N/N=C\c1ccncc1)N/N=C\c1ccncc1 |
| InChI | InChI=1S/C13H12N6S/c20-13(18-16-9-11-1-5-14-6-2-11)19-17-10-12-3-7-15-8-4-12/h1-10H,(H2,18,19,20) |
| InChIK | DJONJRVHXNPXKC-UHFFFAOYSA-N |
| TotalMolweight | 284.346 |
| Molweight | 284.346 |
| MonoisotopicMass | 284.084414 |
| CLogP | 1.9849 |
| CLogS | -3.324 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 235.69 |
| Relative PSA | 0.40681 |
| PolarSurfaceArea | 106.65 |
| Druglikeness | 2.0574 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde; thio-amide/urea |
| Shape Index | 0.75 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 11 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - 1,3-bis[(Z)-pyridin-4-ylmethylideneamino]thiourea | 2 - 1,3-bis[(Z)-pyridin-4-ylmethylideneamino]thiourea
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