N-(1,3-thiazol-2-yl)-N'-thiophen-2-ylsulfonylbenzenecarboximidamide
Formula:C14H11N3O2S3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-(1,3-thiazol-2-yl)-N'-thiophen-2-ylsulfonylbenzenecarboximidamide is a drug-like molecule.
| MolName | N-(1,3-thiazol-2-yl)-N'-thiophen-2-ylsulfonylbenzenecarboximidamide |
| MolecularFormula | C14H11N3O2S3 |
| Smiles | O=S(c1cccs1)(/N=C(\c1ccccc1)/Nc1nccs1)=O |
| InChI | InChI=1S/C14H11N3O2S3/c18-22(19,12-7-4-9-20-12)17-13(11-5-2-1-3-6-11)16-14-15-8-10-21-14/h1-10H,(H,15,16,17) |
| InChIK | GWLQPSSYLVWOAM-UHFFFAOYSA-N |
| TotalMolweight | 349.458 |
| Molweight | 349.458 |
| MonoisotopicMass | 349.001337 |
| CLogP | 3.6241 |
| CLogS | -3.87 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 246.43 |
| Relative PSA | 0.41894 |
| PolarSurfaceArea | 136.28 |
| Druglikeness | 2.34 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! thiazol-2-ylamine |
| Shape Index | 0.45455 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 1 |
| Symmetricatoms | 3 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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