[(E)-[2-oxo-4-[4-(1H-pyridin-4-ylidene)pyridin-1-yl]-1,3-thiazol-5-ylidene]methyl]iminothiourea
Formula:C15H12N6OS2
Mutagenic:low
Tumorigenic:low
Reproductive Effective:none
[(E)-[2-oxo-4-[4-(1H-pyridin-4-ylidene)pyridin-1-yl]-1,3-thiazol-5-ylidene]methyl]iminothiourea is a drug-like molecule.
| MolName | [(E)-[2-oxo-4-[4-(1H-pyridin-4-ylidene)pyridin-1-yl]-1,3-thiazol-5-ylidene]methyl]iminothiourea |
| MolecularFormula | C15H12N6OS2 |
| Smiles | NC(/N=N\C=C(/C(N(C=C1)C=CC1=C1C=CNC=C1)=N1)\SC1=O)=S |
| InChI | InChI=1S/C15H12N6OS2/c16-14(23)20-18-9-12-13(19-15(22)24-12)21-7-3-11(4-8-21)10-1-5-17-6-2-10/h1-9,17H,(H2,16,23) |
| InChIK | NUTXIYXEXKPYAZ-UHFFFAOYSA-N |
| TotalMolweight | 356.433 |
| Molweight | 356.433 |
| MonoisotopicMass | 356.051399 |
| CLogP | -0.5023 |
| CLogS | -4.241 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 270.85 |
| Relative PSA | 0.45538 |
| PolarSurfaceArea | 152.83 |
| Druglikeness | -1.9381 |
| Mutagenic | low |
| Tumorigenic | low |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | azo; thio-amide/urea |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 1 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| BasicNitrogens | 2 |
| StereoCon |
Click to Load Molecule:
1 - [(E)-[2-oxo-4-[4-(1H-pyridin-4-ylidene)pyridin-1-yl]-1,3-thiazol-5-ylidene]methyl]iminothiourea | 2 - [(E)-[2-oxo-4-[4-(1H-pyridin-4-ylidene)pyridin-1-yl]-1,3-thiazol-5-ylidene]methyl]iminothiourea
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