N-[(Z)-(2-fluorophenyl)methylideneamino]-4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazol-2-amine
Formula:C20H19N4O2FS2
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-(2-fluorophenyl)methylideneamino]-4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazol-2-amine is not a drug-like molecule.
| MolName | N-[(Z)-(2-fluorophenyl)methylideneamino]-4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazol-2-amine |
| MolecularFormula | C20H19N4O2FS2 |
| Smiles | O=S(c(cc1)ccc1-c1csc(N/N=C\c(cccc2)c2F)n1)(N1CCCC1)=O |
| InChI | InChI=1S/C20H19FN4O2S2/c21-18-6-2-1-5-16(18)13-22-24-20-23-19(14-28-20)15-7-9-17(10-8-15)29(26,27)25-11-3-4-12-25/h1-2,5-10,13-14H,3-4,11-12H2,(H,23,24) |
| InChIK | RJYRBBSOQZLKBD-UHFFFAOYSA-N |
| TotalMolweight | 430.527 |
| Molweight | 430.527 |
| MonoisotopicMass | 430.093344 |
| CLogP | 6.182 |
| CLogS | -4.799 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 310.47 |
| Relative PSA | 0.27838 |
| PolarSurfaceArea | 111.28 |
| Druglikeness | 4.3165 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.62069 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 5 |
| Symmetricatoms | 5 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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