4-(2,4-dichlorophenyl)-N-[(E)-(2-iodophenyl)methylideneamino]-1,3-thiazol-2-amine
Formula:C16H10N3Cl2IS
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
4-(2,4-dichlorophenyl)-N-[(E)-(2-iodophenyl)methylideneamino]-1,3-thiazol-2-amine is not a drug-like molecule.
| MolName | 4-(2,4-dichlorophenyl)-N-[(E)-(2-iodophenyl)methylideneamino]-1,3-thiazol-2-amine |
| MolecularFormula | C16H10N3Cl2IS |
| Smiles | Clc(cc1)cc(Cl)c1-c1csc(N/N=C/c(cccc2)c2I)n1 |
| InChI | InChI=1S/C16H10Cl2IN3S/c17-11-5-6-12(13(18)7-11)15-9-23-16(21-15)22-20-8-10-3-1-2-4-14(10)19/h1-9H,(H,21,22) |
| InChIK | QWJBIYFCZMFQQM-UHFFFAOYSA-N |
| TotalMolweight | 474.148 |
| Molweight | 474.148 |
| MonoisotopicMass | 472.901719 |
| CLogP | 7.8655 |
| CLogS | -7.148 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 280.82 |
| Relative PSA | 0.19336 |
| PolarSurfaceArea | 65.52 |
| Druglikeness | 4.461 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.65217 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 4-(2,4-dichlorophenyl)-N-[(E)-(2-iodophenyl)methylideneamino]-1,3-thiazol-2-amine | 2 - 4-(2,4-dichlorophenyl)-N-[(E)-(2-iodophenyl)methylideneamino]-1,3-thiazol-2-amine
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