N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-4,5-dimethyl-1,3-thiazol-2-amine
Formula:C12H11N3Cl2S
Mutagenic:none
Tumorigenic:high
Reproductive Effective:low
N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-4,5-dimethyl-1,3-thiazol-2-amine is not a drug-like molecule.
| MolName | N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-4,5-dimethyl-1,3-thiazol-2-amine |
| MolecularFormula | C12H11N3Cl2S |
| Smiles | Cc1c(C)sc(N/N=C\c(c(Cl)ccc2)c2Cl)n1 |
| InChI | InChI=1S/C12H11Cl2N3S/c1-7-8(2)18-12(16-7)17-15-6-9-10(13)4-3-5-11(9)14/h3-6H,1-2H3,(H,16,17) |
| InChIK | ZMMDKPZEVHOVCQ-UHFFFAOYSA-N |
| TotalMolweight | 300.212 |
| Molweight | 300.212 |
| MonoisotopicMass | 299.005071 |
| CLogP | 6.5022 |
| CLogS | -5.176 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 219.3 |
| Relative PSA | 0.24761 |
| PolarSurfaceArea | 65.52 |
| Druglikeness | 1.4566 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.61111 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 2 |
| Symmetricatoms | 3 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-4,5-dimethyl-1,3-thiazol-2-amine | 2 - N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-4,5-dimethyl-1,3-thiazol-2-amine
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