(5E)-5-[(2Z)-2-[5-chloro-3-(2-hydroxyethyl)-1,3-benzothiazol-2-ylidene]ethylidene]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C20H15N2O2ClS3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5E)-5-[(2Z)-2-[5-chloro-3-(2-hydroxyethyl)-1,3-benzothiazol-2-ylidene]ethylidene]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (5E)-5-[(2Z)-2-[5-chloro-3-(2-hydroxyethyl)-1,3-benzothiazol-2-ylidene]ethylidene]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C20H15N2O2ClS3 |
| Smiles | OCCN1c(cc(cc2)Cl)c2S/C1=C\C=C(/C(N1c2ccccc2)=O)\SC1=S |
| InChI | InChI=1S/C20H15ClN2O2S3/c21-13-6-7-16-15(12-13)22(10-11-24)18(27-16)9-8-17-19(25)23(20(26)28-17)14-4-2-1-3-5-14/h1-9,12,24H,10-11H2 |
| InChIK | SSRKYPKZGCIICL-UHFFFAOYSA-N |
| TotalMolweight | 447.002 |
| Molweight | 447.002 |
| MonoisotopicMass | 445.998415 |
| CLogP | 3.1461 |
| CLogS | -6.728 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 310.77 |
| Relative PSA | 0.30962 |
| PolarSurfaceArea | 126.47 |
| Druglikeness | 4.255 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.53571 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 6 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - (5E)-5-[(2Z)-2-[5-chloro-3-(2-hydroxyethyl)-1,3-benzothiazol-2-ylidene]ethylidene]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5E)-5-[(2Z)-2-[5-chloro-3-(2-hydroxyethyl)-1,3-benzothiazol-2-ylidene]ethylidene]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off