(Z)-4-phenyl-N-(2-phenylethyl)-3-[(Z)-pyridin-2-ylmethylideneamino]-1,3-thiazol-2-imine
Formula:C23H20N4S
Mutagenic:low
Tumorigenic:none
Reproductive Effective:none
(Z)-4-phenyl-N-(2-phenylethyl)-3-[(Z)-pyridin-2-ylmethylideneamino]-1,3-thiazol-2-imine is a drug-like molecule.
| MolName | (Z)-4-phenyl-N-(2-phenylethyl)-3-[(Z)-pyridin-2-ylmethylideneamino]-1,3-thiazol-2-imine |
| MolecularFormula | C23H20N4S |
| Smiles | C(C/N=C1\SC=C(c2ccccc2)N1/N=C\c1ncccc1)c1ccccc1 |
| InChI | InChI=1S/C23H20N4S/c1-3-9-19(10-4-1)14-16-25-23-27(26-17-21-13-7-8-15-24-21)22(18-28-23)20-11-5-2-6-12-20/h1-13,15,17-18H,14,16H2 |
| InChIK | YFKTUMHWAMSYTJ-UHFFFAOYSA-N |
| TotalMolweight | 384.506 |
| Molweight | 384.506 |
| MonoisotopicMass | 384.140866 |
| CLogP | 4.9513 |
| CLogS | -5.136 |
| H Acceptors | 4 |
| TotalSurfaceArea | 305.79 |
| Relative PSA | 0.17996 |
| PolarSurfaceArea | 66.15 |
| Druglikeness | 4.7094 |
| Mutagenic | low |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.53571 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - (Z)-4-phenyl-N-(2-phenylethyl)-3-[(Z)-pyridin-2-ylmethylideneamino]-1,3-thiazol-2-imine | 2 - (Z)-4-phenyl-N-(2-phenylethyl)-3-[(Z)-pyridin-2-ylmethylideneamino]-1,3-thiazol-2-imine
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