3,5,6-trichloro-N-[(Z)-(2-piperidin-1-yl-4-thiophen-2-yl-1,3-thiazol-5-yl)methylideneamino]pyridin-2-amine
Formula:C18H16N5Cl3S2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:low
3,5,6-trichloro-N-[(Z)-(2-piperidin-1-yl-4-thiophen-2-yl-1,3-thiazol-5-yl)methylideneamino]pyridin-2-amine is not a drug-like molecule.
| MolName | 3,5,6-trichloro-N-[(Z)-(2-piperidin-1-yl-4-thiophen-2-yl-1,3-thiazol-5-yl)methylideneamino]pyridin-2-amine |
| MolecularFormula | C18H16N5Cl3S2 |
| Smiles | Clc(cc1Cl)c(N/N=C\c2c(-c3cccs3)nc(N3CCCCC3)s2)nc1Cl |
| InChI | InChI=1S/C18H16Cl3N5S2/c19-11-9-12(20)17(24-16(11)21)25-22-10-14-15(13-5-4-8-27-13)23-18(28-14)26-6-2-1-3-7-26/h4-5,8-10H,1-3,6-7H2,(H,24,25) |
| InChIK | NKUHSAUYXQBRJK-UHFFFAOYSA-N |
| TotalMolweight | 472.851 |
| Molweight | 472.851 |
| MonoisotopicMass | 470.991266 |
| CLogP | 8.421 |
| CLogS | -7.384 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 330.26 |
| Relative PSA | 0.27003 |
| PolarSurfaceArea | 109.89 |
| Druglikeness | 4.67 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | low |
| Nasty Functions | imine/hydrazone of aldehyde; polyhalo aromatic ring |
| Shape Index | 0.53571 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 3,5,6-trichloro-N-[(Z)-(2-piperidin-1-yl-4-thiophen-2-yl-1,3-thiazol-5-yl)methylideneamino]pyridin-2-amine | 2 - 3,5,6-trichloro-N-[(Z)-(2-piperidin-1-yl-4-thiophen-2-yl-1,3-thiazol-5-yl)methylideneamino]pyridin-2-amine
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