N-[(E)-[amino(pyrazin-2-yl)methylidene]amino]-2-[1-[2-(cyclohexen-1-yl)ethylcarbamoyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide
Formula:C23H30N8O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(E)-[amino(pyrazin-2-yl)methylidene]amino]-2-[1-[2-(cyclohexen-1-yl)ethylcarbamoyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide is a drug-like molecule.
| MolName | N-[(E)-[amino(pyrazin-2-yl)methylidene]amino]-2-[1-[2-(cyclohexen-1-yl)ethylcarbamoyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide |
| MolecularFormula | C23H30N8O2S |
| Smiles | N/C(/c1nccnc1)=N/NC(c1csc(C(CC2)CCN2C(NCCC2=CCCCC2)=O)n1)=O |
| InChI | InChI=1S/C23H30N8O2S/c24-20(18-14-25-10-11-26-18)29-30-21(32)19-15-34-22(28-19)17-7-12-31(13-8-17)23(33)27-9-6-16-4-2-1-3-5-16/h4,10-11,14-15,17H,1-3,5-9,12-13H2,(H2,24,29)(H,27,33)(H,30,32) |
| InChIK | CIRSLGMKUPZCMU-UHFFFAOYSA-N |
| TotalMolweight | 482.611 |
| Molweight | 482.611 |
| MonoisotopicMass | 482.221242 |
| CLogP | 2.2601 |
| CLogS | -3.447 |
| H Acceptors | 10 |
| H Donors | 3 |
| TotalSurfaceArea | 373.26 |
| Relative PSA | 0.35525 |
| PolarSurfaceArea | 166.73 |
| Druglikeness | 2.517 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone |
| Shape Index | 0.67647 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 11 |
| Symmetricatoms | 2 |
| Amides | 2 |
| Aromatic Nitrogens | 3 |
| StereoCon |
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1 - N-[(E)-[amino(pyrazin-2-yl)methylidene]amino]-2-[1-[2-(cyclohexen-1-yl)ethylcarbamoyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide | 2 - N-[(E)-[amino(pyrazin-2-yl)methylidene]amino]-2-[1-[2-(cyclohexen-1-yl)ethylcarbamoyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide
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