4-(4-pyrrolidin-1-ylsulfonylphenyl)-N-[(Z)-thiophen-2-ylmethylideneamino]-1,3-thiazol-2-amine
Formula:C18H18N4O2S3
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
4-(4-pyrrolidin-1-ylsulfonylphenyl)-N-[(Z)-thiophen-2-ylmethylideneamino]-1,3-thiazol-2-amine is not a drug-like molecule.
| MolName | 4-(4-pyrrolidin-1-ylsulfonylphenyl)-N-[(Z)-thiophen-2-ylmethylideneamino]-1,3-thiazol-2-amine |
| MolecularFormula | C18H18N4O2S3 |
| Smiles | O=S(c(cc1)ccc1-c1csc(N/N=C\c2cccs2)n1)(N1CCCC1)=O |
| InChI | InChI=1S/C18H18N4O2S3/c23-27(24,22-9-1-2-10-22)16-7-5-14(6-8-16)17-13-26-18(20-17)21-19-12-15-4-3-11-25-15/h3-8,11-13H,1-2,9-10H2,(H,20,21) |
| InChIK | HLLKPMHVWNLQSG-UHFFFAOYSA-N |
| TotalMolweight | 418.565 |
| Molweight | 418.565 |
| MonoisotopicMass | 418.059186 |
| CLogP | 5.9478 |
| CLogS | -4.495 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 300.06 |
| Relative PSA | 0.3559 |
| PolarSurfaceArea | 139.52 |
| Druglikeness | 6.7045 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.62963 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 5 |
| Symmetricatoms | 5 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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