4-(4-chlorophenyl)-N-[(E)-pyridin-3-ylmethylideneamino]-1,3-thiazol-2-amine
Formula:C15H11N4ClS
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
4-(4-chlorophenyl)-N-[(E)-pyridin-3-ylmethylideneamino]-1,3-thiazol-2-amine is not a drug-like molecule.
| MolName | 4-(4-chlorophenyl)-N-[(E)-pyridin-3-ylmethylideneamino]-1,3-thiazol-2-amine |
| MolecularFormula | C15H11N4ClS |
| Smiles | Clc(cc1)ccc1-c1csc(N/N=C/c2cnccc2)n1 |
| InChI | InChI=1S/C15H11ClN4S/c16-13-5-3-12(4-6-13)14-10-21-15(19-14)20-18-9-11-2-1-7-17-8-11/h1-10H,(H,19,20) |
| InChIK | CQOKTEJQLSCHFO-UHFFFAOYSA-N |
| TotalMolweight | 314.799 |
| Molweight | 314.799 |
| MonoisotopicMass | 314.039293 |
| CLogP | 5.8215 |
| CLogS | -4.601 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 237.88 |
| Relative PSA | 0.27438 |
| PolarSurfaceArea | 78.41 |
| Druglikeness | 4.0061 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.71429 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 4-(4-chlorophenyl)-N-[(E)-pyridin-3-ylmethylideneamino]-1,3-thiazol-2-amine | 2 - 4-(4-chlorophenyl)-N-[(E)-pyridin-3-ylmethylideneamino]-1,3-thiazol-2-amine
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off