N-[(E)-[4-[4-[hydroxy(phenyl)methylidene]pyridin-1-yl]-2-oxo-1,3-thiazol-5-ylidene]methyl]iminopyridine-4-carboxamide
Formula:C22H15N5O3S
Mutagenic:low
Tumorigenic:high
Reproductive Effective:none
N-[(E)-[4-[4-[hydroxy(phenyl)methylidene]pyridin-1-yl]-2-oxo-1,3-thiazol-5-ylidene]methyl]iminopyridine-4-carboxamide is a drug-like molecule.
| MolName | N-[(E)-[4-[4-[hydroxy(phenyl)methylidene]pyridin-1-yl]-2-oxo-1,3-thiazol-5-ylidene]methyl]iminopyridine-4-carboxamide |
| MolecularFormula | C22H15N5O3S |
| Smiles | OC(c1ccccc1)=C(C=C1)C=CN1C(/C(/S1)=C\N=N/C(c2ccncc2)=O)=NC1=O |
| InChI | InChI=1S/C22H15N5O3S/c28-19(15-4-2-1-3-5-15)16-8-12-27(13-9-16)20-18(31-22(30)25-20)14-24-26-21(29)17-6-10-23-11-7-17/h1-14,28H |
| InChIK | DNBUJNIKIDDXGH-UHFFFAOYSA-N |
| TotalMolweight | 429.459 |
| Molweight | 429.459 |
| MonoisotopicMass | 429.08956 |
| CLogP | 1.3712 |
| CLogS | -4.587 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 321.04 |
| Relative PSA | 0.3293 |
| PolarSurfaceArea | 132.88 |
| Druglikeness | -3.7041 |
| Mutagenic | low |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | azo |
| Shape Index | 0.6129 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - N-[(E)-[4-[4-[hydroxy(phenyl)methylidene]pyridin-1-yl]-2-oxo-1,3-thiazol-5-ylidene]methyl]iminopyridine-4-carboxamide | 2 - N-[(E)-[4-[4-[hydroxy(phenyl)methylidene]pyridin-1-yl]-2-oxo-1,3-thiazol-5-ylidene]methyl]iminopyridine-4-carboxamide
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