N-[(Z)-(2-fluorophenyl)methylideneamino]-4-(3-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-amine
Formula:C20H19N4O3FS2
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-(2-fluorophenyl)methylideneamino]-4-(3-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-amine is not a drug-like molecule.
| MolName | N-[(Z)-(2-fluorophenyl)methylideneamino]-4-(3-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-amine |
| MolecularFormula | C20H19N4O3FS2 |
| Smiles | O=S(c1cc(-c2csc(N/N=C\c(cccc3)c3F)n2)ccc1)(N1CCOCC1)=O |
| InChI | InChI=1S/C20H19FN4O3S2/c21-18-7-2-1-4-16(18)13-22-24-20-23-19(14-29-20)15-5-3-6-17(12-15)30(26,27)25-8-10-28-11-9-25/h1-7,12-14H,8-11H2,(H,23,24) |
| InChIK | HQFBAQNKNZDXHA-UHFFFAOYSA-N |
| TotalMolweight | 446.526 |
| Molweight | 446.526 |
| MonoisotopicMass | 446.088259 |
| CLogP | 5.36 |
| CLogS | -4.18 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 320.47 |
| Relative PSA | 0.3009 |
| PolarSurfaceArea | 120.51 |
| Druglikeness | -0.28851 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 6 |
| Symmetricatoms | 3 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - N-[(Z)-(2-fluorophenyl)methylideneamino]-4-(3-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-amine | 2 - N-[(Z)-(2-fluorophenyl)methylideneamino]-4-(3-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-amine
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