(5Z)-3-(pyridin-4-ylmethyl)-5-(pyridin-3-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C15H11N3OS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-3-(pyridin-4-ylmethyl)-5-(pyridin-3-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (5Z)-3-(pyridin-4-ylmethyl)-5-(pyridin-3-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C15H11N3OS2 |
| Smiles | O=C(/C(/S1)=C/c2cnccc2)N(Cc2ccncc2)C1=S |
| InChI | InChI=1S/C15H11N3OS2/c19-14-13(8-12-2-1-5-17-9-12)21-15(20)18(14)10-11-3-6-16-7-4-11/h1-9H,10H2 |
| InChIK | SOZIQYHRKWVVMZ-UHFFFAOYSA-N |
| TotalMolweight | 313.404 |
| Molweight | 313.404 |
| MonoisotopicMass | 313.034352 |
| CLogP | 0.8134 |
| CLogS | -2.871 |
| H Acceptors | 4 |
| TotalSurfaceArea | 233.76 |
| Relative PSA | 0.35943 |
| PolarSurfaceArea | 103.48 |
| Druglikeness | 3.953 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61905 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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