(2E)-3-cyclohexyl-2-pyridin-2-ylimino-1,3-thiazolidin-4-one
Formula:C14H17N3OS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2E)-3-cyclohexyl-2-pyridin-2-ylimino-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (2E)-3-cyclohexyl-2-pyridin-2-ylimino-1,3-thiazolidin-4-one |
| MolecularFormula | C14H17N3OS |
| Smiles | O=C(CS1)N(C2CCCCC2)/C1=N\c1ncccc1 |
| InChI | InChI=1S/C14H17N3OS/c18-13-10-19-14(16-12-8-4-5-9-15-12)17(13)11-6-2-1-3-7-11/h4-5,8-9,11H,1-3,6-7,10H2 |
| InChIK | QSUXBAFNQJQXLI-UHFFFAOYSA-N |
| TotalMolweight | 275.375 |
| Molweight | 275.375 |
| MonoisotopicMass | 275.109232 |
| CLogP | 1.9756 |
| CLogS | -3.479 |
| H Acceptors | 4 |
| TotalSurfaceArea | 208.59 |
| Relative PSA | 0.27115 |
| PolarSurfaceArea | 70.86 |
| Druglikeness | -2.7624 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.57895 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 8 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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