N-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
Formula:C14H13N3ClFS
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
N-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine is not a drug-like molecule.
| MolName | N-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine |
| MolecularFormula | C14H13N3ClFS |
| Smiles | Fc1cccc(Cl)c1/C=N/Nc1nc(CCCC2)c2s1 |
| InChI | InChI=1S/C14H13ClFN3S/c15-10-4-3-5-11(16)9(10)8-17-19-14-18-12-6-1-2-7-13(12)20-14/h3-5,8H,1-2,6-7H2,(H,18,19) |
| InChIK | CYOJEBCVSLOTNE-UHFFFAOYSA-N |
| TotalMolweight | 309.795 |
| Molweight | 309.795 |
| MonoisotopicMass | 309.050272 |
| CLogP | 6.466 |
| CLogS | -5.158 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 227.25 |
| Relative PSA | 0.23894 |
| PolarSurfaceArea | 65.52 |
| Druglikeness | -2.4173 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 4 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - N-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine | 2 - N-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
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