N-[(Z)-benzylideneamino]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
Formula:C15H11N3OS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-benzylideneamino]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-benzylideneamino]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide |
| MolecularFormula | C15H11N3OS2 |
| Smiles | O=C(c1csc(-c2cccs2)n1)N/N=C\c1ccccc1 |
| InChI | InChI=1S/C15H11N3OS2/c19-14(18-16-9-11-5-2-1-3-6-11)12-10-21-15(17-12)13-7-4-8-20-13/h1-10H,(H,18,19) |
| InChIK | JYYBKZQFTBKMOE-UHFFFAOYSA-N |
| TotalMolweight | 313.404 |
| Molweight | 313.404 |
| MonoisotopicMass | 313.034352 |
| CLogP | 3.9342 |
| CLogS | -3.993 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 237.39 |
| Relative PSA | 0.36943 |
| PolarSurfaceArea | 110.83 |
| Druglikeness | 7.3523 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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