2-amino-N-[(Z)-[3-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-4-ethyl-1,3-thiazole-5-carboxamide
Formula:C20H19N4O2ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-amino-N-[(Z)-[3-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-4-ethyl-1,3-thiazole-5-carboxamide is a drug-like molecule.
| MolName | 2-amino-N-[(Z)-[3-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-4-ethyl-1,3-thiazole-5-carboxamide |
| MolecularFormula | C20H19N4O2ClS |
| Smiles | CCc1c(C(N/N=C\c2cccc(OCc3cccc(Cl)c3)c2)=O)sc(N)n1 |
| InChI | InChI=1S/C20H19ClN4O2S/c1-2-17-18(28-20(22)24-17)19(26)25-23-11-13-5-4-8-16(10-13)27-12-14-6-3-7-15(21)9-14/h3-11H,2,12H2,1H3,(H2,22,24)(H,25,26) |
| InChIK | XBIGTOIYLKPRES-UHFFFAOYSA-N |
| TotalMolweight | 414.916 |
| Molweight | 414.916 |
| MonoisotopicMass | 414.091723 |
| CLogP | 4.9994 |
| CLogS | -6.244 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 315.17 |
| Relative PSA | 0.29384 |
| PolarSurfaceArea | 117.84 |
| Druglikeness | 5.8327 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.60714 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - 2-amino-N-[(Z)-[3-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-4-ethyl-1,3-thiazole-5-carboxamide | 2 - 2-amino-N-[(Z)-[3-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-4-ethyl-1,3-thiazole-5-carboxamide
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