(2Z)-2-(1,3-benzothiazol-2-yl)-2-[3-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]acetonitrile
Formula:C18H10N3OFS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2Z)-2-(1,3-benzothiazol-2-yl)-2-[3-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]acetonitrile is a drug-like molecule.
| MolName | (2Z)-2-(1,3-benzothiazol-2-yl)-2-[3-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]acetonitrile |
| MolecularFormula | C18H10N3OFS2 |
| Smiles | N#C/C(/c1nc(cccc2)c2s1)=C(\N1c(cc2)ccc2F)/SCC1=O |
| InChI | InChI=1S/C18H10FN3OS2/c19-11-5-7-12(8-6-11)22-16(23)10-24-18(22)13(9-20)17-21-14-3-1-2-4-15(14)25-17/h1-8H,10H2 |
| InChIK | WEADFMKNUOUEDY-UHFFFAOYSA-N |
| TotalMolweight | 367.427 |
| Molweight | 367.427 |
| MonoisotopicMass | 367.02493 |
| CLogP | 3.0534 |
| CLogS | -4.92 |
| H Acceptors | 4 |
| TotalSurfaceArea | 259.1 |
| Relative PSA | 0.30479 |
| PolarSurfaceArea | 110.53 |
| Druglikeness | -2.3113 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | polar activated DB |
| Shape Index | 0.52 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 2 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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