2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-5-nitro-1,3-benzothiazole
Formula:C15H9N4O2ClS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-5-nitro-1,3-benzothiazole is a drug-like molecule.
| MolName | 2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-5-nitro-1,3-benzothiazole |
| MolecularFormula | C15H9N4O2ClS2 |
| Smiles | [O-][N+](c(cc1)cc2c1sc(SCc1cn(cc(cc3)Cl)c3n1)n2)=O |
| InChI | InChI=1S/C15H9ClN4O2S2/c16-9-1-4-14-17-10(7-19(14)6-9)8-23-15-18-12-5-11(20(21)22)2-3-13(12)24-15/h1-7H,8H2 |
| InChIK | IDFJSYSKJXGTJA-UHFFFAOYSA-N |
| TotalMolweight | 376.847 |
| Molweight | 376.847 |
| MonoisotopicMass | 375.985543 |
| CLogP | 2.6334 |
| CLogS | -7.382 |
| H Acceptors | 6 |
| TotalSurfaceArea | 256.67 |
| Relative PSA | 0.38244 |
| PolarSurfaceArea | 129.55 |
| Druglikeness | -3.3515 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Aromatic Nitrogens | 3 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-5-nitro-1,3-benzothiazole | 2 - 2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-5-nitro-1,3-benzothiazole
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