(5Z)-5-[(2-hydroxyphenyl)methylidene]-3-(piperidin-1-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C16H18N2O2S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-5-[(2-hydroxyphenyl)methylidene]-3-(piperidin-1-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (5Z)-5-[(2-hydroxyphenyl)methylidene]-3-(piperidin-1-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C16H18N2O2S2 |
| Smiles | Oc1c(/C=C(/C(N2CN3CCCCC3)=O)\SC2=S)cccc1 |
| InChI | InChI=1S/C16H18N2O2S2/c19-13-7-3-2-6-12(13)10-14-15(20)18(16(21)22-14)11-17-8-4-1-5-9-17/h2-3,6-7,10,19H,1,4-5,8-9,11H2 |
| InChIK | KULUXWLTWDVJLP-UHFFFAOYSA-N |
| TotalMolweight | 334.463 |
| Molweight | 334.463 |
| MonoisotopicMass | 334.080968 |
| CLogP | 1.9036 |
| CLogS | -3.75 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 248.43 |
| Relative PSA | 0.31691 |
| PolarSurfaceArea | 101.17 |
| Druglikeness | 2.7321 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | methanediamine |
| Shape Index | 0.59091 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 10 |
| Symmetricatoms | 2 |
| Amides | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - (5Z)-5-[(2-hydroxyphenyl)methylidene]-3-(piperidin-1-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5Z)-5-[(2-hydroxyphenyl)methylidene]-3-(piperidin-1-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
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