(Z)-4-(4-bromophenyl)-N-(2-nitrophenyl)-3-[(Z)-pyridin-2-ylmethylideneamino]-1,3-thiazol-2-imine
Formula:C21H14N5O2BrS
Mutagenic:low
Tumorigenic:none
Reproductive Effective:none
(Z)-4-(4-bromophenyl)-N-(2-nitrophenyl)-3-[(Z)-pyridin-2-ylmethylideneamino]-1,3-thiazol-2-imine is a drug-like molecule.
| MolName | (Z)-4-(4-bromophenyl)-N-(2-nitrophenyl)-3-[(Z)-pyridin-2-ylmethylideneamino]-1,3-thiazol-2-imine |
| MolecularFormula | C21H14N5O2BrS |
| Smiles | [O-][N+](c(cccc1)c1/N=C1\SC=C(c(cc2)ccc2Br)N1/N=C\c1ncccc1)=O |
| InChI | InChI=1S/C21H14BrN5O2S/c22-16-10-8-15(9-11-16)20-14-30-21(25-18-6-1-2-7-19(18)27(28)29)26(20)24-13-17-5-3-4-12-23-17/h1-14H |
| InChIK | ABCRERKHVGNKGW-UHFFFAOYSA-N |
| TotalMolweight | 480.345 |
| Molweight | 480.345 |
| MonoisotopicMass | 479.005156 |
| CLogP | 4.2208 |
| CLogS | -6.157 |
| H Acceptors | 7 |
| TotalSurfaceArea | 320.57 |
| Relative PSA | 0.26656 |
| PolarSurfaceArea | 111.97 |
| Druglikeness | -3.0685 |
| Mutagenic | low |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.43333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - (Z)-4-(4-bromophenyl)-N-(2-nitrophenyl)-3-[(Z)-pyridin-2-ylmethylideneamino]-1,3-thiazol-2-imine | 2 - (Z)-4-(4-bromophenyl)-N-(2-nitrophenyl)-3-[(Z)-pyridin-2-ylmethylideneamino]-1,3-thiazol-2-imine
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