N-[(Z)-(4-chlorophenyl)methylideneamino]-2-(furan-2-ylmethylsulfonylmethyl)-1,3-thiazole-4-carboxamide
Formula:C17H14N3O4ClS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-chlorophenyl)methylideneamino]-2-(furan-2-ylmethylsulfonylmethyl)-1,3-thiazole-4-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-(4-chlorophenyl)methylideneamino]-2-(furan-2-ylmethylsulfonylmethyl)-1,3-thiazole-4-carboxamide |
| MolecularFormula | C17H14N3O4ClS2 |
| Smiles | O=C(c1csc(CS(Cc2ccco2)(=O)=O)n1)N/N=C\c(cc1)ccc1Cl |
| InChI | InChI=1S/C17H14ClN3O4S2/c18-13-5-3-12(4-6-13)8-19-21-17(22)15-9-26-16(20-15)11-27(23,24)10-14-2-1-7-25-14/h1-9H,10-11H2,(H,21,22) |
| InChIK | KJJHUXLGYXNSNF-UHFFFAOYSA-N |
| TotalMolweight | 423.9 |
| Molweight | 423.9 |
| MonoisotopicMass | 423.011424 |
| CLogP | 2.3459 |
| CLogS | -5.309 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 302.66 |
| Relative PSA | 0.36354 |
| PolarSurfaceArea | 138.25 |
| Druglikeness | 4.46 |
| 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 | 27 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 3 |
| Symmetricatoms | 3 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - N-[(Z)-(4-chlorophenyl)methylideneamino]-2-(furan-2-ylmethylsulfonylmethyl)-1,3-thiazole-4-carboxamide | 2 - N-[(Z)-(4-chlorophenyl)methylideneamino]-2-(furan-2-ylmethylsulfonylmethyl)-1,3-thiazole-4-carboxamide
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