(NZ)-N-[(6-benzylsulfanylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]hydroxylamine
Formula:C13H11N3OS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(NZ)-N-[(6-benzylsulfanylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]hydroxylamine is a drug-like molecule.
| MolName | (NZ)-N-[(6-benzylsulfanylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]hydroxylamine |
| MolecularFormula | C13H11N3OS2 |
| Smiles | O/N=C\c(n(ccs1)c1n1)c1SCc1ccccc1 |
| InChI | InChI=1S/C13H11N3OS2/c17-14-8-11-12(15-13-16(11)6-7-18-13)19-9-10-4-2-1-3-5-10/h1-8,17H,9H2 |
| InChIK | CJTFIKYDTWYSDT-UHFFFAOYSA-N |
| TotalMolweight | 289.382 |
| Molweight | 289.382 |
| MonoisotopicMass | 289.034352 |
| CLogP | 3.4003 |
| CLogS | -3.282 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 215.33 |
| Relative PSA | 0.37793 |
| PolarSurfaceArea | 103.43 |
| Druglikeness | 1.8534 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.57895 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 14 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - (NZ)-N-[(6-benzylsulfanylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]hydroxylamine | 2 - (NZ)-N-[(6-benzylsulfanylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]hydroxylamine
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