About (2Z,5E)-2-[(3-benzyl-1,3-thiazol-3-ium-2-yl)methylidene]-5-(6,7-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)-3-ethyl-1,3-thiazolidin-4-one;(2Z,5E)-5-(5-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-3-ethyl-2-[[3-[[2-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-3-ium-2-yl]methylidene]-1,3-thiazolidin-4-one;(2Z,5E)-5-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)-3-ethyl-2-[(3-ethyl-1,3-thiazol-3-ium-2-yl)methylidene]-1,3-thiazolidin-4-one;(2Z,5E)-3-ethyl-5-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-2-[[3-[[2-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-3-ium-2-yl]methylidene]-1,3-thiazolidin-4-one;methyl (2R)-2-[(2Z,5E)-5-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-4-oxo-2-(pyridin-2-ylmethylidene)-1,3-thiazolidin-3-yl]propanoate;tetrachloride
(2Z,5E)-2-[(3-benzyl-1,3-thiazol-3-ium-2-yl)methylidene]-5-(6,7-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)-3-ethyl-1,3-thiazolidin-4-one;(2Z,5E)-5-(5-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-3-ethyl-2-[[3-[[2-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-3-ium-2-yl]methylidene]-1,3-thiazolidin-4-one;(2Z,5E)-5-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)-3-ethyl-2-[(3-ethyl-1,3-thiazol-3-ium-2-yl)methylidene]-1,3-thiazolidin-4-one;(2Z,5E)-3-ethyl-5-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-2-[[3-[[2-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-3-ium-2-yl]methylidene]-1,3-thiazolidin-4-one;methyl (2R)-2-[(2Z,5E)-5-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-4-oxo-2-(pyridin-2-ylmethylidene)-1,3-thiazolidin-3-yl]propanoate;tetrachloride (PubChem CID 162237151) has the molecular formula C115H100Cl5F10N15O7S14
and a molecular weight of 2620.35 g/mol. Its IUPAC name is (2Z,5E)-2-[(3-benzyl-1,3-thiazol-3-ium-2-yl)methylidene]-5-(6,7-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)-3-ethyl-1,3-thiazolidin-4-one;(2Z,5E)-5-(5-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-3-ethyl-2-[[3-[[2-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-3-ium-2-yl]methylidene]-1,3-thiazolidin-4-one;(2Z,5E)-5-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)-3-ethyl-2-[(3-ethyl-1,3-thiazol-3-ium-2-yl)methylidene]-1,3-thiazolidin-4-one;(2Z,5E)-3-ethyl-5-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-2-[[3-[[2-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-3-ium-2-yl]methylidene]-1,3-thiazolidin-4-one;methyl (2R)-2-[(2Z,5E)-5-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-4-oxo-2-(pyridin-2-ylmethylidene)-1,3-thiazolidin-3-yl]propanoate;tetrachloride.
Frequently Asked Questions
What is the IUPAC name of (2Z,5E)-2-[(3-benzyl-1,3-thiazol-3-ium-2-yl)methylidene]-5-(6,7-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)-3-ethyl-1,3-thiazolidin-4-one;(2Z,5E)-5-(5-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-3-ethyl-2-[[3-[[2-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-3-ium-2-yl]methylidene]-1,3-thiazolidin-4-one;(2Z,5E)-5-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)-3-ethyl-2-[(3-ethyl-1,3-thiazol-3-ium-2-yl)methylidene]-1,3-thiazolidin-4-one;(2Z,5E)-3-ethyl-5-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-2-[[3-[[2-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-3-ium-2-yl]methylidene]-1,3-thiazolidin-4-one;methyl (2R)-2-[(2Z,5E)-5-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-4-oxo-2-(pyridin-2-ylmethylidene)-1,3-thiazolidin-3-yl]propanoate;tetrachloride?
The IUPAC name of (2Z,5E)-2-[(3-benzyl-1,3-thiazol-3-ium-2-yl)methylidene]-5-(6,7-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)-3-ethyl-1,3-thiazolidin-4-one;(2Z,5E)-5-(5-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-3-ethyl-2-[[3-[[2-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-3-ium-2-yl]methylidene]-1,3-thiazolidin-4-one;(2Z,5E)-5-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)-3-ethyl-2-[(3-ethyl-1,3-thiazol-3-ium-2-yl)methylidene]-1,3-thiazolidin-4-one;(2Z,5E)-3-ethyl-5-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-2-[[3-[[2-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-3-ium-2-yl]methylidene]-1,3-thiazolidin-4-one;methyl (2R)-2-[(2Z,5E)-5-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-4-oxo-2-(pyridin-2-ylmethylidene)-1,3-thiazolidin-3-yl]propanoate;tetrachloride (CID 162237151) is (2Z,5E)-2-[(3-benzyl-1,3-thiazol-3-ium-2-yl)methylidene]-5-(6,7-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)-3-ethyl-1,3-thiazolidin-4-one;(2Z,5E)-5-(5-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-3-ethyl-2-[[3-[[2-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-3-ium-2-yl]methylidene]-1,3-thiazolidin-4-one;(2Z,5E)-5-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)-3-ethyl-2-[(3-ethyl-1,3-thiazol-3-ium-2-yl)methylidene]-1,3-thiazolidin-4-one;(2Z,5E)-3-ethyl-5-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-2-[[3-[[2-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-3-ium-2-yl]methylidene]-1,3-thiazolidin-4-one;methyl (2R)-2-[(2Z,5E)-5-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-4-oxo-2-(pyridin-2-ylmethylidene)-1,3-thiazolidin-3-yl]propanoate;tetrachloride.
What is the SMILES notation for (2Z,5E)-2-[(3-benzyl-1,3-thiazol-3-ium-2-yl)methylidene]-5-(6,7-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)-3-ethyl-1,3-thiazolidin-4-one;(2Z,5E)-5-(5-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-3-ethyl-2-[[3-[[2-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-3-ium-2-yl]methylidene]-1,3-thiazolidin-4-one;(2Z,5E)-5-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)-3-ethyl-2-[(3-ethyl-1,3-thiazol-3-ium-2-yl)methylidene]-1,3-thiazolidin-4-one;(2Z,5E)-3-ethyl-5-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-2-[[3-[[2-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-3-ium-2-yl]methylidene]-1,3-thiazolidin-4-one;methyl (2R)-2-[(2Z,5E)-5-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-4-oxo-2-(pyridin-2-ylmethylidene)-1,3-thiazolidin-3-yl]propanoate;tetrachloride?
The canonical SMILES for (2Z,5E)-2-[(3-benzyl-1,3-thiazol-3-ium-2-yl)methylidene]-5-(6,7-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)-3-ethyl-1,3-thiazolidin-4-one;(2Z,5E)-5-(5-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-3-ethyl-2-[[3-[[2-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-3-ium-2-yl]methylidene]-1,3-thiazolidin-4-one;(2Z,5E)-5-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)-3-ethyl-2-[(3-ethyl-1,3-thiazol-3-ium-2-yl)methylidene]-1,3-thiazolidin-4-one;(2Z,5E)-3-ethyl-5-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-2-[[3-[[2-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-3-ium-2-yl]methylidene]-1,3-thiazolidin-4-one;methyl (2R)-2-[(2Z,5E)-5-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-4-oxo-2-(pyridin-2-ylmethylidene)-1,3-thiazolidin-3-yl]propanoate;tetrachloride is CCn1c(=O)/c(=C2\Sc3c(ccc(F)c3F)N2C)s/c1=C\c1scc[n+]1Cc1ccccc1.CCn1c(=O)/c(=C2\Sc3cc(C)ccc3N2C)s/c1=C\c1scc[n+]1CC.CCn1c(=O)/c(=C2\Sc3cc(F)ccc3N2C)s/c1=C\c1scc[n+]1Cc1ccccc1C(F)(F)F.CCn1c(=O)/c(=C2\Sc3ccc(Cl)cc3N2C)s/c1=C\c1scc[n+]1Cc1ccccc1C(F)(F)F.COC(=O)[C@@H](C)n1c(=O)/c(=C2\Sc3cc(F)ccc3N2C)s/c1=C\c1ccccn1.[Cl-].[Cl-].[Cl-].[Cl-].
What is the InChIKey of (2Z,5E)-2-[(3-benzyl-1,3-thiazol-3-ium-2-yl)methylidene]-5-(6,7-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)-3-ethyl-1,3-thiazolidin-4-one;(2Z,5E)-5-(5-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-3-ethyl-2-[[3-[[2-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-3-ium-2-yl]methylidene]-1,3-thiazolidin-4-one;(2Z,5E)-5-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)-3-ethyl-2-[(3-ethyl-1,3-thiazol-3-ium-2-yl)methylidene]-1,3-thiazolidin-4-one;(2Z,5E)-3-ethyl-5-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-2-[[3-[[2-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-3-ium-2-yl]methylidene]-1,3-thiazolidin-4-one;methyl (2R)-2-[(2Z,5E)-5-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-4-oxo-2-(pyridin-2-ylmethylidene)-1,3-thiazolidin-3-yl]propanoate;tetrachloride?
The InChIKey is CPSJBGMEAFCPEI-NNFPXZQUSA-J. The full InChI is InChI=1S/C25H20ClF3N3OS3.C25H20F4N3OS3.C24H20F2N3OS3.C21H18FN3O3S2.C20H22N3OS3.4ClH/c1-3-32-21(36-22(23(32)33)24-30(2)18-12-16(26)8-9-19(18)35-24)13-20-31(10-11-34-20)14-15-6-4-5-7-17(15)25(27,28)29;1-3-32-21(36-22(23(32)33)24-30(2)18-9-8-16(26)12-19(18)35-24)13-20-31(10-11-34-20)14-15-6-4-5-7-17(15)25(27,28)29;1-3-29-19(13-18-28(11-12-31-18)14-15-7-5-4-6-8-15)32-22(23(29)30)24-27(2)17-10-9-16(25)20(26)21(17)33-24;1-12(21(27)28-3)25-17(11-14-6-4-5-9-23-14)30-18(19(25)26)20-24(2)15-8-7-13(22)10-16(15)29-20;1-5-22-9-10-25-16(22)12-17-23(6-2)19(24)18(27-17)20-21(4)14-8-7-13(3)11-15(14)26-20;;;;/h2*4-13H,3,14H2,1-2H3;4-13H,3,14H2,1-2H3;4-12H,1-3H3;7-12H,5-6H2,1-4H3;4*1H/q3*+1;;+1;;;;/p-4/b3*24-22+;17-11-,20-18+;20-18+;;;;/t;;;12-;;;;;/m...1...../s1.
What are the key properties of (2Z,5E)-2-[(3-benzyl-1,3-thiazol-3-ium-2-yl)methylidene]-5-(6,7-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)-3-ethyl-1,3-thiazolidin-4-one;(2Z,5E)-5-(5-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-3-ethyl-2-[[3-[[2-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-3-ium-2-yl]methylidene]-1,3-thiazolidin-4-one;(2Z,5E)-5-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)-3-ethyl-2-[(3-ethyl-1,3-thiazol-3-ium-2-yl)methylidene]-1,3-thiazolidin-4-one;(2Z,5E)-3-ethyl-5-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-2-[[3-[[2-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-3-ium-2-yl]methylidene]-1,3-thiazolidin-4-one;methyl (2R)-2-[(2Z,5E)-5-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-4-oxo-2-(pyridin-2-ylmethylidene)-1,3-thiazolidin-3-yl]propanoate;tetrachloride?
(2Z,5E)-2-[(3-benzyl-1,3-thiazol-3-ium-2-yl)methylidene]-5-(6,7-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)-3-ethyl-1,3-thiazolidin-4-one;(2Z,5E)-5-(5-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-3-ethyl-2-[[3-[[2-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-3-ium-2-yl]methylidene]-1,3-thiazolidin-4-one;(2Z,5E)-5-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)-3-ethyl-2-[(3-ethyl-1,3-thiazol-3-ium-2-yl)methylidene]-1,3-thiazolidin-4-one;(2Z,5E)-3-ethyl-5-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-2-[[3-[[2-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-3-ium-2-yl]methylidene]-1,3-thiazolidin-4-one;methyl (2R)-2-[(2Z,5E)-5-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-4-oxo-2-(pyridin-2-ylmethylidene)-1,3-thiazolidin-3-yl]propanoate;tetrachloride has a molecular weight of 2620.35 g/mol, XLogP of 6.57, 18 rotatable bonds, 0 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,5E)-2-[(3-benzyl-1,3-thiazol-3-ium-2-yl)methylidene]-5-(6,7-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)-3-ethyl-1,3-thiazolidin-4-one;(2Z,5E)-5-(5-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-3-ethyl-2-[[3-[[2-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-3-ium-2-yl]methylidene]-1,3-thiazolidin-4-one;(2Z,5E)-5-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)-3-ethyl-2-[(3-ethyl-1,3-thiazol-3-ium-2-yl)methylidene]-1,3-thiazolidin-4-one;(2Z,5E)-3-ethyl-5-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-2-[[3-[[2-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-3-ium-2-yl]methylidene]-1,3-thiazolidin-4-one;methyl (2R)-2-[(2Z,5E)-5-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-4-oxo-2-(pyridin-2-ylmethylidene)-1,3-thiazolidin-3-yl]propanoate;tetrachloride is sourced from PubChem (CID 162237151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).