4-(4-chlorophenyl)-N-[(E)-(2-iodophenyl)methylideneamino]-1,3-thiazol-2-amine
Formula:C16H11N3ClIS
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
4-(4-chlorophenyl)-N-[(E)-(2-iodophenyl)methylideneamino]-1,3-thiazol-2-amine is not a drug-like molecule.
| MolName | 4-(4-chlorophenyl)-N-[(E)-(2-iodophenyl)methylideneamino]-1,3-thiazol-2-amine |
| MolecularFormula | C16H11N3ClIS |
| Smiles | Clc(cc1)ccc1-c1csc(N/N=C/c(cccc2)c2I)n1 |
| InChI | InChI=1S/C16H11ClIN3S/c17-13-7-5-11(6-8-13)15-10-22-16(20-15)21-19-9-12-3-1-2-4-14(12)18/h1-10H,(H,20,21) |
| InChIK | FITZKZSTEJSYAX-UHFFFAOYSA-N |
| TotalMolweight | 439.703 |
| Molweight | 439.703 |
| MonoisotopicMass | 438.940692 |
| CLogP | 7.2595 |
| CLogS | -6.412 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 265.4 |
| Relative PSA | 0.2046 |
| PolarSurfaceArea | 65.52 |
| Druglikeness | 4.461 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.68182 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 4-(4-chlorophenyl)-N-[(E)-(2-iodophenyl)methylideneamino]-1,3-thiazol-2-amine | 2 - 4-(4-chlorophenyl)-N-[(E)-(2-iodophenyl)methylideneamino]-1,3-thiazol-2-amine
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