(5Z)-3-[2-(4-chlorophenyl)ethyl]-5-(pyridin-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C17H13N2OClS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-3-[2-(4-chlorophenyl)ethyl]-5-(pyridin-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (5Z)-3-[2-(4-chlorophenyl)ethyl]-5-(pyridin-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C17H13N2OClS2 |
| Smiles | O=C(/C(/S1)=C/c2ncccc2)N(CCc(cc2)ccc2Cl)C1=S |
| InChI | InChI=1S/C17H13ClN2OS2/c18-13-6-4-12(5-7-13)8-10-20-16(21)15(23-17(20)22)11-14-3-1-2-9-19-14/h1-7,9,11H,8,10H2 |
| InChIK | UFIDVGSCNZFUHM-UHFFFAOYSA-N |
| TotalMolweight | 360.888 |
| Molweight | 360.888 |
| MonoisotopicMass | 360.01578 |
| CLogP | 2.9044 |
| CLogS | -4.538 |
| H Acceptors | 3 |
| TotalSurfaceArea | 264.18 |
| Relative PSA | 0.27652 |
| PolarSurfaceArea | 90.59 |
| Druglikeness | 4.204 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.65217 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - (5Z)-3-[2-(4-chlorophenyl)ethyl]-5-(pyridin-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5Z)-3-[2-(4-chlorophenyl)ethyl]-5-(pyridin-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
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