N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-4-(3-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazol-2-amine
Formula:C20H18N4O2ClFS2
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-4-(3-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazol-2-amine is not a drug-like molecule.
| MolName | N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-4-(3-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazol-2-amine |
| MolecularFormula | C20H18N4O2ClFS2 |
| Smiles | O=S(c1cccc(-c2csc(N/N=C\c(c(F)ccc3)c3Cl)n2)c1)(N1CCCC1)=O |
| InChI | InChI=1S/C20H18ClFN4O2S2/c21-17-7-4-8-18(22)16(17)12-23-25-20-24-19(13-29-20)14-5-3-6-15(11-14)30(27,28)26-9-1-2-10-26/h3-8,11-13H,1-2,9-10H2,(H,24,25) |
| InChIK | BLAONGSGTXSUQF-UHFFFAOYSA-N |
| TotalMolweight | 464.972 |
| Molweight | 464.972 |
| MonoisotopicMass | 464.054371 |
| CLogP | 6.788 |
| CLogS | -5.535 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 325.89 |
| Relative PSA | 0.26521 |
| PolarSurfaceArea | 111.28 |
| Druglikeness | 0.3766 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.56667 |
| 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 | 5 |
| Symmetricatoms | 3 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-4-(3-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazol-2-amine | 2 - N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-4-(3-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazol-2-amine
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