(Z)-N-cyclohexyl-4-phenyl-3-[(Z)-pyridin-2-ylmethylideneamino]-1,3-thiazol-2-imine
Formula:C21H22N4S
Mutagenic:low
Tumorigenic:none
Reproductive Effective:none
(Z)-N-cyclohexyl-4-phenyl-3-[(Z)-pyridin-2-ylmethylideneamino]-1,3-thiazol-2-imine is a drug-like molecule.
| MolName | (Z)-N-cyclohexyl-4-phenyl-3-[(Z)-pyridin-2-ylmethylideneamino]-1,3-thiazol-2-imine |
| MolecularFormula | C21H22N4S |
| Smiles | C(CC1)CCC1/N=C1\SC=C(c2ccccc2)N1/N=C\c1ncccc1 |
| InChI | InChI=1S/C21H22N4S/c1-3-9-17(10-4-1)20-16-26-21(24-18-11-5-2-6-12-18)25(20)23-15-19-13-7-8-14-22-19/h1,3-4,7-10,13-16,18H,2,5-6,11-12H2 |
| InChIK | IMHIHFOSBHNLPV-UHFFFAOYSA-N |
| TotalMolweight | 362.5 |
| Molweight | 362.5 |
| MonoisotopicMass | 362.156516 |
| CLogP | 4.6588 |
| CLogS | -5.275 |
| H Acceptors | 4 |
| TotalSurfaceArea | 286.31 |
| Relative PSA | 0.1922 |
| PolarSurfaceArea | 66.15 |
| Druglikeness | -2.4876 |
| Mutagenic | low |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 7 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - (Z)-N-cyclohexyl-4-phenyl-3-[(Z)-pyridin-2-ylmethylideneamino]-1,3-thiazol-2-imine | 2 - (Z)-N-cyclohexyl-4-phenyl-3-[(Z)-pyridin-2-ylmethylideneamino]-1,3-thiazol-2-imine
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