(NZ)-N-[[6-[3-(trifluoromethyl)phenyl]sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]methylidene]hydroxylamine
Formula:C13H8N3OF3S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(NZ)-N-[[6-[3-(trifluoromethyl)phenyl]sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]methylidene]hydroxylamine is a drug-like molecule.
| MolName | (NZ)-N-[[6-[3-(trifluoromethyl)phenyl]sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]methylidene]hydroxylamine |
| MolecularFormula | C13H8N3OF3S2 |
| Smiles | O/N=C\c(n(ccs1)c1n1)c1Sc1cc(C(F)(F)F)ccc1 |
| InChI | InChI=1S/C13H8F3N3OS2/c14-13(15,16)8-2-1-3-9(6-8)22-11-10(7-17-20)19-4-5-21-12(19)18-11/h1-7,20H |
| InChIK | ZUTXARPSTYPXJO-UHFFFAOYSA-N |
| TotalMolweight | 343.353 |
| Molweight | 343.353 |
| MonoisotopicMass | 343.006086 |
| CLogP | 4.1083 |
| CLogS | -3.417 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 231.03 |
| Relative PSA | 0.35225 |
| PolarSurfaceArea | 103.43 |
| Druglikeness | -5.4302 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| 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-[3-(trifluoromethyl)phenyl]sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]methylidene]hydroxylamine | 2 - (NZ)-N-[[6-[3-(trifluoromethyl)phenyl]sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]methylidene]hydroxylamine
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