About (2Z,5E)-2-[(3-benzyl-1,3-thiazol-3-ium-2-yl)methylidene]-3-ethyl-5-(3-methyl-1,3-benzothiazol-2-ylidene)-1,3-thiazolidin-4-one;(2Z,5E)-5-(6-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-3-ethyl-2-[[3-[(4-fluorophenyl)methyl]-1,3-thiazol-3-ium-2-yl]methylidene]-1,3-thiazolidin-4-one;(2Z,5E)-3-ethyl-2-[(1-ethylpyridin-1-ium-2-yl)methylidene]-5-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-1,3-thiazolidin-4-one;(2Z,5E)-3-ethyl-5-(6-isocyano-3-methyl-1,3-benzothiazol-2-ylidene)-2-(pyridin-2-ylmethylidene)-1,3-thiazolidin-4-one;methyl 2-[(2Z,5E)-5-(4-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-4-oxo-2-(pyridin-4-ylmethylidene)-1,3-thiazolidin-3-yl]acetate;methyl 2-[(2Z,5E)-5-(7-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-4-oxo-2-(pyridin-4-ylmethylidene)-1,3-thiazolidin-3-yl]acetate;trichloride
(2Z,5E)-2-[(3-benzyl-1,3-thiazol-3-ium-2-yl)methylidene]-3-ethyl-5-(3-methyl-1,3-benzothiazol-2-ylidene)-1,3-thiazolidin-4-one;(2Z,5E)-5-(6-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-3-ethyl-2-[[3-[(4-fluorophenyl)methyl]-1,3-thiazol-3-ium-2-yl]methylidene]-1,3-thiazolidin-4-one;(2Z,5E)-3-ethyl-2-[(1-ethylpyridin-1-ium-2-yl)methylidene]-5-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-1,3-thiazolidin-4-one;(2Z,5E)-3-ethyl-5-(6-isocyano-3-methyl-1,3-benzothiazol-2-ylidene)-2-(pyridin-2-ylmethylidene)-1,3-thiazolidin-4-one;methyl 2-[(2Z,5E)-5-(4-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-4-oxo-2-(pyridin-4-ylmethylidene)-1,3-thiazolidin-3-yl]acetate;methyl 2-[(2Z,5E)-5-(7-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-4-oxo-2-(pyridin-4-ylmethylidene)-1,3-thiazolidin-3-yl]acetate;trichloride (PubChem CID 158406718) has the molecular formula C129H111Cl4F4N19O10S14
and a molecular weight of 2754.17 g/mol. Its IUPAC name is (2Z,5E)-2-[(3-benzyl-1,3-thiazol-3-ium-2-yl)methylidene]-3-ethyl-5-(3-methyl-1,3-benzothiazol-2-ylidene)-1,3-thiazolidin-4-one;(2Z,5E)-5-(6-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-3-ethyl-2-[[3-[(4-fluorophenyl)methyl]-1,3-thiazol-3-ium-2-yl]methylidene]-1,3-thiazolidin-4-one;(2Z,5E)-3-ethyl-2-[(1-ethylpyridin-1-ium-2-yl)methylidene]-5-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-1,3-thiazolidin-4-one;(2Z,5E)-3-ethyl-5-(6-isocyano-3-methyl-1,3-benzothiazol-2-ylidene)-2-(pyridin-2-ylmethylidene)-1,3-thiazolidin-4-one;methyl 2-[(2Z,5E)-5-(4-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-4-oxo-2-(pyridin-4-ylmethylidene)-1,3-thiazolidin-3-yl]acetate;methyl 2-[(2Z,5E)-5-(7-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-4-oxo-2-(pyridin-4-ylmethylidene)-1,3-thiazolidin-3-yl]acetate;trichloride.
Frequently Asked Questions
What is the IUPAC name of (2Z,5E)-2-[(3-benzyl-1,3-thiazol-3-ium-2-yl)methylidene]-3-ethyl-5-(3-methyl-1,3-benzothiazol-2-ylidene)-1,3-thiazolidin-4-one;(2Z,5E)-5-(6-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-3-ethyl-2-[[3-[(4-fluorophenyl)methyl]-1,3-thiazol-3-ium-2-yl]methylidene]-1,3-thiazolidin-4-one;(2Z,5E)-3-ethyl-2-[(1-ethylpyridin-1-ium-2-yl)methylidene]-5-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-1,3-thiazolidin-4-one;(2Z,5E)-3-ethyl-5-(6-isocyano-3-methyl-1,3-benzothiazol-2-ylidene)-2-(pyridin-2-ylmethylidene)-1,3-thiazolidin-4-one;methyl 2-[(2Z,5E)-5-(4-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-4-oxo-2-(pyridin-4-ylmethylidene)-1,3-thiazolidin-3-yl]acetate;methyl 2-[(2Z,5E)-5-(7-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-4-oxo-2-(pyridin-4-ylmethylidene)-1,3-thiazolidin-3-yl]acetate;trichloride?
The IUPAC name of (2Z,5E)-2-[(3-benzyl-1,3-thiazol-3-ium-2-yl)methylidene]-3-ethyl-5-(3-methyl-1,3-benzothiazol-2-ylidene)-1,3-thiazolidin-4-one;(2Z,5E)-5-(6-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-3-ethyl-2-[[3-[(4-fluorophenyl)methyl]-1,3-thiazol-3-ium-2-yl]methylidene]-1,3-thiazolidin-4-one;(2Z,5E)-3-ethyl-2-[(1-ethylpyridin-1-ium-2-yl)methylidene]-5-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-1,3-thiazolidin-4-one;(2Z,5E)-3-ethyl-5-(6-isocyano-3-methyl-1,3-benzothiazol-2-ylidene)-2-(pyridin-2-ylmethylidene)-1,3-thiazolidin-4-one;methyl 2-[(2Z,5E)-5-(4-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-4-oxo-2-(pyridin-4-ylmethylidene)-1,3-thiazolidin-3-yl]acetate;methyl 2-[(2Z,5E)-5-(7-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-4-oxo-2-(pyridin-4-ylmethylidene)-1,3-thiazolidin-3-yl]acetate;trichloride (CID 158406718) is (2Z,5E)-2-[(3-benzyl-1,3-thiazol-3-ium-2-yl)methylidene]-3-ethyl-5-(3-methyl-1,3-benzothiazol-2-ylidene)-1,3-thiazolidin-4-one;(2Z,5E)-5-(6-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-3-ethyl-2-[[3-[(4-fluorophenyl)methyl]-1,3-thiazol-3-ium-2-yl]methylidene]-1,3-thiazolidin-4-one;(2Z,5E)-3-ethyl-2-[(1-ethylpyridin-1-ium-2-yl)methylidene]-5-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-1,3-thiazolidin-4-one;(2Z,5E)-3-ethyl-5-(6-isocyano-3-methyl-1,3-benzothiazol-2-ylidene)-2-(pyridin-2-ylmethylidene)-1,3-thiazolidin-4-one;methyl 2-[(2Z,5E)-5-(4-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-4-oxo-2-(pyridin-4-ylmethylidene)-1,3-thiazolidin-3-yl]acetate;methyl 2-[(2Z,5E)-5-(7-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-4-oxo-2-(pyridin-4-ylmethylidene)-1,3-thiazolidin-3-yl]acetate;trichloride.
What is the SMILES notation for (2Z,5E)-2-[(3-benzyl-1,3-thiazol-3-ium-2-yl)methylidene]-3-ethyl-5-(3-methyl-1,3-benzothiazol-2-ylidene)-1,3-thiazolidin-4-one;(2Z,5E)-5-(6-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-3-ethyl-2-[[3-[(4-fluorophenyl)methyl]-1,3-thiazol-3-ium-2-yl]methylidene]-1,3-thiazolidin-4-one;(2Z,5E)-3-ethyl-2-[(1-ethylpyridin-1-ium-2-yl)methylidene]-5-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-1,3-thiazolidin-4-one;(2Z,5E)-3-ethyl-5-(6-isocyano-3-methyl-1,3-benzothiazol-2-ylidene)-2-(pyridin-2-ylmethylidene)-1,3-thiazolidin-4-one;methyl 2-[(2Z,5E)-5-(4-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-4-oxo-2-(pyridin-4-ylmethylidene)-1,3-thiazolidin-3-yl]acetate;methyl 2-[(2Z,5E)-5-(7-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-4-oxo-2-(pyridin-4-ylmethylidene)-1,3-thiazolidin-3-yl]acetate;trichloride?
The canonical SMILES for (2Z,5E)-2-[(3-benzyl-1,3-thiazol-3-ium-2-yl)methylidene]-3-ethyl-5-(3-methyl-1,3-benzothiazol-2-ylidene)-1,3-thiazolidin-4-one;(2Z,5E)-5-(6-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-3-ethyl-2-[[3-[(4-fluorophenyl)methyl]-1,3-thiazol-3-ium-2-yl]methylidene]-1,3-thiazolidin-4-one;(2Z,5E)-3-ethyl-2-[(1-ethylpyridin-1-ium-2-yl)methylidene]-5-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-1,3-thiazolidin-4-one;(2Z,5E)-3-ethyl-5-(6-isocyano-3-methyl-1,3-benzothiazol-2-ylidene)-2-(pyridin-2-ylmethylidene)-1,3-thiazolidin-4-one;methyl 2-[(2Z,5E)-5-(4-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-4-oxo-2-(pyridin-4-ylmethylidene)-1,3-thiazolidin-3-yl]acetate;methyl 2-[(2Z,5E)-5-(7-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-4-oxo-2-(pyridin-4-ylmethylidene)-1,3-thiazolidin-3-yl]acetate;trichloride is CCn1c(=O)/c(=C2\Sc3cc(Cl)ccc3N2C)s/c1=C\c1scc[n+]1Cc1ccc(F)cc1.CCn1c(=O)/c(=C2\Sc3cc(F)ccc3N2C)s/c1=C\c1cccc[n+]1CC.CCn1c(=O)/c(=C2\Sc3ccccc3N2C)s/c1=C\c1scc[n+]1Cc1ccccc1.COC(=O)Cn1c(=O)/c(=C2\Sc3c(F)cccc3N2C)s/c1=C\c1ccncc1.COC(=O)Cn1c(=O)/c(=C2\Sc3cccc(F)c3N2C)s/c1=C\c1ccncc1.[C-]#[N+]c1ccc2c(c1)S/C(=c1/s/c(=C\c3ccccn3)n(CC)c1=O)N2C.[Cl-].[Cl-].[Cl-].
What is the InChIKey of (2Z,5E)-2-[(3-benzyl-1,3-thiazol-3-ium-2-yl)methylidene]-3-ethyl-5-(3-methyl-1,3-benzothiazol-2-ylidene)-1,3-thiazolidin-4-one;(2Z,5E)-5-(6-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-3-ethyl-2-[[3-[(4-fluorophenyl)methyl]-1,3-thiazol-3-ium-2-yl]methylidene]-1,3-thiazolidin-4-one;(2Z,5E)-3-ethyl-2-[(1-ethylpyridin-1-ium-2-yl)methylidene]-5-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-1,3-thiazolidin-4-one;(2Z,5E)-3-ethyl-5-(6-isocyano-3-methyl-1,3-benzothiazol-2-ylidene)-2-(pyridin-2-ylmethylidene)-1,3-thiazolidin-4-one;methyl 2-[(2Z,5E)-5-(4-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-4-oxo-2-(pyridin-4-ylmethylidene)-1,3-thiazolidin-3-yl]acetate;methyl 2-[(2Z,5E)-5-(7-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-4-oxo-2-(pyridin-4-ylmethylidene)-1,3-thiazolidin-3-yl]acetate;trichloride?
The InChIKey is FCOBYWVGNIYHMG-JTBBTWNWSA-K. The full InChI is InChI=1S/C24H20ClFN3OS3.C24H22N3OS3.C21H21FN3OS2.2C20H16FN3O3S2.C20H16N4OS2.3ClH/c1-3-29-21(13-20-28(10-11-31-20)14-15-4-7-17(26)8-5-15)33-22(23(29)30)24-27(2)18-9-6-16(25)12-19(18)32-24;1-3-27-21(15-20-26(13-14-29-20)16-17-9-5-4-6-10-17)31-22(23(27)28)24-25(2)18-11-7-8-12-19(18)30-24;1-4-24-11-7-6-8-15(24)13-18-25(5-2)20(26)19(28-18)21-23(3)16-10-9-14(22)12-17(16)27-21;1-23-17-13(21)4-3-5-14(17)28-20(23)18-19(26)24(11-16(25)27-2)15(29-18)10-12-6-8-22-9-7-12;1-23-14-5-3-4-13(21)17(14)29-20(23)18-19(26)24(11-16(25)27-2)15(28-18)10-12-6-8-22-9-7-12;1-4-24-17(12-14-7-5-6-10-22-14)27-18(19(24)25)20-23(3)15-9-8-13(21-2)11-16(15)26-20;;;/h4-13H,3,14H2,1-2H3;4-15H,3,16H2,1-2H3;6-13H,4-5H2,1-3H3;2*3-10H,11H2,1-2H3;5-12H,4H2,1,3H3;3*1H/q3*+1;;;;;;/p-3/b2*24-22+;21-19+;2*15-10-,20-18+;17-12-,20-18+;;;.
What are the key properties of (2Z,5E)-2-[(3-benzyl-1,3-thiazol-3-ium-2-yl)methylidene]-3-ethyl-5-(3-methyl-1,3-benzothiazol-2-ylidene)-1,3-thiazolidin-4-one;(2Z,5E)-5-(6-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-3-ethyl-2-[[3-[(4-fluorophenyl)methyl]-1,3-thiazol-3-ium-2-yl]methylidene]-1,3-thiazolidin-4-one;(2Z,5E)-3-ethyl-2-[(1-ethylpyridin-1-ium-2-yl)methylidene]-5-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-1,3-thiazolidin-4-one;(2Z,5E)-3-ethyl-5-(6-isocyano-3-methyl-1,3-benzothiazol-2-ylidene)-2-(pyridin-2-ylmethylidene)-1,3-thiazolidin-4-one;methyl 2-[(2Z,5E)-5-(4-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-4-oxo-2-(pyridin-4-ylmethylidene)-1,3-thiazolidin-3-yl]acetate;methyl 2-[(2Z,5E)-5-(7-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-4-oxo-2-(pyridin-4-ylmethylidene)-1,3-thiazolidin-3-yl]acetate;trichloride?
(2Z,5E)-2-[(3-benzyl-1,3-thiazol-3-ium-2-yl)methylidene]-3-ethyl-5-(3-methyl-1,3-benzothiazol-2-ylidene)-1,3-thiazolidin-4-one;(2Z,5E)-5-(6-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-3-ethyl-2-[[3-[(4-fluorophenyl)methyl]-1,3-thiazol-3-ium-2-yl]methylidene]-1,3-thiazolidin-4-one;(2Z,5E)-3-ethyl-2-[(1-ethylpyridin-1-ium-2-yl)methylidene]-5-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-1,3-thiazolidin-4-one;(2Z,5E)-3-ethyl-5-(6-isocyano-3-methyl-1,3-benzothiazol-2-ylidene)-2-(pyridin-2-ylmethylidene)-1,3-thiazolidin-4-one;methyl 2-[(2Z,5E)-5-(4-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-4-oxo-2-(pyridin-4-ylmethylidene)-1,3-thiazolidin-3-yl]acetate;methyl 2-[(2Z,5E)-5-(7-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-4-oxo-2-(pyridin-4-ylmethylidene)-1,3-thiazolidin-3-yl]acetate;trichloride has a molecular weight of 2754.17 g/mol, XLogP of 7.76, 19 rotatable bonds, 0 hydrogen bond donors, and 39 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]-3-ethyl-5-(3-methyl-1,3-benzothiazol-2-ylidene)-1,3-thiazolidin-4-one;(2Z,5E)-5-(6-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-3-ethyl-2-[[3-[(4-fluorophenyl)methyl]-1,3-thiazol-3-ium-2-yl]methylidene]-1,3-thiazolidin-4-one;(2Z,5E)-3-ethyl-2-[(1-ethylpyridin-1-ium-2-yl)methylidene]-5-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-1,3-thiazolidin-4-one;(2Z,5E)-3-ethyl-5-(6-isocyano-3-methyl-1,3-benzothiazol-2-ylidene)-2-(pyridin-2-ylmethylidene)-1,3-thiazolidin-4-one;methyl 2-[(2Z,5E)-5-(4-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-4-oxo-2-(pyridin-4-ylmethylidene)-1,3-thiazolidin-3-yl]acetate;methyl 2-[(2Z,5E)-5-(7-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-4-oxo-2-(pyridin-4-ylmethylidene)-1,3-thiazolidin-3-yl]acetate;trichloride is sourced from PubChem (CID 158406718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).