(3Z)-3-[(2-piperidin-1-yl-1,3-thiazol-5-yl)methylidene]-1H-indol-2-one
Formula:C17H17N3OS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(3Z)-3-[(2-piperidin-1-yl-1,3-thiazol-5-yl)methylidene]-1H-indol-2-one is a drug-like molecule.
| MolName | (3Z)-3-[(2-piperidin-1-yl-1,3-thiazol-5-yl)methylidene]-1H-indol-2-one |
| MolecularFormula | C17H17N3OS |
| Smiles | O=C1Nc(cccc2)c2/C1=C/c1cnc(N2CCCCC2)s1 |
| InChI | InChI=1S/C17H17N3OS/c21-16-14(13-6-2-3-7-15(13)19-16)10-12-11-18-17(22-12)20-8-4-1-5-9-20/h2-3,6-7,10-11H,1,4-5,8-9H2,(H,19,21) |
| InChIK | ICWVVIDPHHJAQI-UHFFFAOYSA-N |
| TotalMolweight | 311.408 |
| Molweight | 311.408 |
| MonoisotopicMass | 311.109232 |
| CLogP | 2.8062 |
| CLogS | -4.204 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 233.74 |
| Relative PSA | 0.25404 |
| PolarSurfaceArea | 73.47 |
| Druglikeness | 3.8547 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.59091 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 2 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - (3Z)-3-[(2-piperidin-1-yl-1,3-thiazol-5-yl)methylidene]-1H-indol-2-one | 2 - (3Z)-3-[(2-piperidin-1-yl-1,3-thiazol-5-yl)methylidene]-1H-indol-2-one
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