(2E)-5-amino-7-(furan-2-yl)-2-(furan-2-ylmethylidene)-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarbonitrile
Formula:C18H10N4O3S
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
(2E)-5-amino-7-(furan-2-yl)-2-(furan-2-ylmethylidene)-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarbonitrile is a drug-like molecule.
| MolName | (2E)-5-amino-7-(furan-2-yl)-2-(furan-2-ylmethylidene)-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarbonitrile |
| MolecularFormula | C18H10N4O3S |
| Smiles | NC(N(C(/C(/S1)=C\c2ccco2)=O)C1=C(C1c2ccco2)C#N)=C1C#N |
| InChI | InChI=1S/C18H10N4O3S/c19-8-11-15(13-4-2-6-25-13)12(9-20)18-22(16(11)21)17(23)14(26-18)7-10-3-1-5-24-10/h1-7,15H,21H2/t15-/m0/s1 |
| InChIK | HBGHHVGJNJENMJ-HNNXBMFYSA-N |
| TotalMolweight | 362.368 |
| Molweight | 362.368 |
| MonoisotopicMass | 362.047361 |
| CLogP | 2.0804 |
| CLogS | -6.04 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 265.93 |
| Relative PSA | 0.39368 |
| PolarSurfaceArea | 145.49 |
| Druglikeness | -0.64424 |
| Mutagenic | high |
| 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-7-(furan-2-yl)-2-(furan-2-ylmethylidene)-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarbonitrile | 2 - (2E)-5-amino-7-(furan-2-yl)-2-(furan-2-ylmethylidene)-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarbonitrile
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