(2Z)-4-(4-fluorophenyl)-N-(4-sulfamoylanilino)-1,3-thiazole-2-carboximidoyl cyanide
Formula:C17H12N5O2FS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2Z)-4-(4-fluorophenyl)-N-(4-sulfamoylanilino)-1,3-thiazole-2-carboximidoyl cyanide is a drug-like molecule.
| MolName | (2Z)-4-(4-fluorophenyl)-N-(4-sulfamoylanilino)-1,3-thiazole-2-carboximidoyl cyanide |
| MolecularFormula | C17H12N5O2FS2 |
| Smiles | NS(c(cc1)ccc1N/N=C(\c1nc(-c(cc2)ccc2F)cs1)/C#N)(=O)=O |
| InChI | InChI=1S/C17H12FN5O2S2/c18-12-3-1-11(2-4-12)16-10-26-17(21-16)15(9-19)23-22-13-5-7-14(8-6-13)27(20,24)25/h1-8,10,22H,(H2,20,24,25) |
| InChIK | JUSDQAFKMOFLGE-UHFFFAOYSA-N |
| TotalMolweight | 401.445 |
| Molweight | 401.445 |
| MonoisotopicMass | 401.041643 |
| CLogP | 3.4695 |
| CLogS | -4.678 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 287.07 |
| Relative PSA | 0.38914 |
| PolarSurfaceArea | 157.85 |
| Druglikeness | 0.0068533 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.62963 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 5 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - (2Z)-4-(4-fluorophenyl)-N-(4-sulfamoylanilino)-1,3-thiazole-2-carboximidoyl cyanide | 2 - (2Z)-4-(4-fluorophenyl)-N-(4-sulfamoylanilino)-1,3-thiazole-2-carboximidoyl cyanide
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