N-(4-chloro-2,5-dimethoxyphenyl)-4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-amine
Formula:C21H23N2O2ClS
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
N-(4-chloro-2,5-dimethoxyphenyl)-4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-amine is not a drug-like molecule.
| MolName | N-(4-chloro-2,5-dimethoxyphenyl)-4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-amine |
| MolecularFormula | C21H23N2O2ClS |
| Smiles | CC(C)Cc(cc1)ccc1-c1csc(Nc(c(OC)c2)cc(OC)c2Cl)n1 |
| InChI | InChI=1S/C21H23ClN2O2S/c1-13(2)9-14-5-7-15(8-6-14)18-12-27-21(24-18)23-17-11-19(25-3)16(22)10-20(17)26-4/h5-8,10-13H,9H2,1-4H3,(H,23,24) |
| InChIK | QBBHURPZFNBDEB-UHFFFAOYSA-N |
| TotalMolweight | 402.945 |
| Molweight | 402.945 |
| MonoisotopicMass | 402.116875 |
| CLogP | 6.4637 |
| CLogS | -6.41 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 309.66 |
| Relative PSA | 0.20277 |
| PolarSurfaceArea | 71.62 |
| Druglikeness | 1.6374 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! thiazol-2-ylamine |
| Shape Index | 0.59259 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 8 |
| Symmetricatoms | 3 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - N-(4-chloro-2,5-dimethoxyphenyl)-4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-amine | 2 - N-(4-chloro-2,5-dimethoxyphenyl)-4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-amine
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