(2E)-5-amino-3-oxo-7-thiophen-3-yl-2-(thiophen-3-ylmethylidene)-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarbonitrile
Formula:C18H10N4OS3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2E)-5-amino-3-oxo-7-thiophen-3-yl-2-(thiophen-3-ylmethylidene)-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarbonitrile is a drug-like molecule.
| MolName | (2E)-5-amino-3-oxo-7-thiophen-3-yl-2-(thiophen-3-ylmethylidene)-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarbonitrile |
| MolecularFormula | C18H10N4OS3 |
| Smiles | NC(N(C(/C(/S1)=C\c2cscc2)=O)C1=C(C1c2cscc2)C#N)=C1C#N |
| InChI | InChI=1S/C18H10N4OS3/c19-6-12-15(11-2-4-25-9-11)13(7-20)18-22(16(12)21)17(23)14(26-18)5-10-1-3-24-8-10/h1-5,8-9,15H,21H2/t15-/m0/s1 |
| InChIK | CQFBOWNZALIRPP-HNNXBMFYSA-N |
| TotalMolweight | 394.502 |
| Molweight | 394.502 |
| MonoisotopicMass | 394.001671 |
| CLogP | 3.2718 |
| CLogS | -6.476 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 278.43 |
| Relative PSA | 0.4209 |
| PolarSurfaceArea | 175.69 |
| Druglikeness | -0.42776 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | polar activated DB |
| Shape Index | 0.46154 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| StereoCenters | 1 |
| Rotatable Bond | 2 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 10 |
| Sp3Atoms | 2 |
| Amides | 1 |
| BasicNitrogens | 1 |
| StereoCon | racemate |
Click to Load Molecule:
1 - (2E)-5-amino-3-oxo-7-thiophen-3-yl-2-(thiophen-3-ylmethylidene)-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarbonitrile | 2 - (2E)-5-amino-3-oxo-7-thiophen-3-yl-2-(thiophen-3-ylmethylidene)-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarbonitrile
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