(2Z,5E)-2-[(3-benzyl-1,3-thiazol-3-ium-2-yl)methylidene]-5-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)-3-ethyl-1,3-thiazolidin-4-one;(2Z,5E)-2-[(3-benzyl-1,3-thiazol-3-ium-2-yl)methylidene]-3-ethyl-5-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-1,3-thiazolidin-4-one;(2Z,5E)-5-(5-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-3-ethyl-2-[(3-methyl-1,3-thiazol-3-ium-2-yl)methylidene]-1,3-thiazolidin-4-one;methyl (2R)-2-[(2Z,5E)-2-[(3-benzyl-1,3-thiazol-3-ium-2-yl)methylidene]-5-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-4-oxo-1,3-thiazolidin-3-yl]propanoate;methyl 2-[(2Z,5E)-5-(7-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-4-oxo-2-(pyridin-2-ylmethylidene)-1,3-thiazolidin-3-yl]acetate;tetrachloride

C113H101Cl5F3N15O9S14 — CID 159170415

IUPAC(2Z,5E)-2-[(3-benzyl-1,3-thiazol-3-ium-2-yl)methylidene]-5-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)-3-ethyl-1,3-thiazolidin-4-one;(2Z,5E)-2-[(3-benzyl-1,3-thiazol-3-ium-2-yl)methylidene]-3-ethyl-5-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-1,3-thiazolidin-4-one;(2Z,5E)-5-(5-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-3-ethyl-2-[(3-methyl-1,3-thiazol-3-ium-2-yl)methylidene]-1,3-thiazolidin-4-one;methyl (2R)-2-[(2Z,5E)-2-[(3-benzyl-1,3-thiazol-3-ium-2-yl)methylidene]-5-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-4-oxo-1,3-thiazolidin-3-yl]propanoate;methyl 2-[(2Z,5E)-5-(7-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-4-oxo-2-(pyridin-2-ylmethylidene)-1,3-thiazolidin-3-yl]acetate;tetrachloride
SMILESCCn1c(=O)/c(=C2\Sc3cc(C)ccc3N2C)s/c1=C\c1scc[n+]1Cc1ccccc1.CCn1c(=O)/c(=C2\Sc3cc(F)ccc3N2C)s/c1=C\c1scc[n+]1Cc1ccccc1.CCn1c(=O)/c(=C2\Sc3ccc(Cl)cc3N2C)s/c1=C\c1scc[n+]1C.COC(=O)Cn1c(=O)/c(=C2\Sc3c(F)cccc3N2C)s/c1=C\c1ccccn1.COC(=O)[C@@H](C)n1c(=O)/c(=C2\Sc3cc(F)ccc3N2C)s/c1=C\c1scc[n+]1Cc1ccccc1.[Cl-].[Cl-].[Cl-].[Cl-]
InChIInChI=1S/C26H23FN3O3S3.C25H24N3OS3.C24H21FN3OS3.C20H16FN3O3S2.C18H17ClN3OS3.4ClH/c1-16(26(32)33-3)30-22(14-21-29(11-12-34-21)15-17-7-5-4-6-8-17)36-23(24(30)31)25-28(2)19-10-9-18(27)13-20(19)35-25;1-4-28-22(15-21-27(12-13-30-21)16-18-8-6-5-7-9-18)32-23(24(28)29)25-26(3)19-11-10-17(2)14-20(19)31-25;1-3-28-21(14-20-27(11-12-30-20)15-16-7-5-4-6-8-16)32-22(23(28)29)24-26(2)18-10-9-17(25)13-19(18)31-24;1-23-14-8-5-7-13(21)17(14)29-20(23)18-19(26)24(11-16(25)27-2)15(28-18)10-12-6-3-4-9-22-12;1-4-22-15(10-14-20(2)7-8-24-14)26-16(17(22)23)18-21(3)12-9-11(19)5-6-13(12)25-18;;;;/h4-14,16H,15H2,1-3H3;5-15H,4,16H2,1-3H3;4-14H,3,15H2,1-2H3;3-10H,11H2,1-2H3;5-10H,4H2,1-3H3;4*1H/q3*+1;;+1;;;;/p-4/b2*25-23+;24-22+;15-10-,20-18+;18-16+;;;;/t16-;;;;;;;;/m1......../s1
InChIKeyYQYRNSIZCATYOF-CHTMMCMLSA-J
MW2496.34 g/mol
LogP3.07
Rot. Bonds18

About (2Z,5E)-2-[(3-benzyl-1,3-thiazol-3-ium-2-yl)methylidene]-5-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)-3-ethyl-1,3-thiazolidin-4-one;(2Z,5E)-2-[(3-benzyl-1,3-thiazol-3-ium-2-yl)methylidene]-3-ethyl-5-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-1,3-thiazolidin-4-one;(2Z,5E)-5-(5-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-3-ethyl-2-[(3-methyl-1,3-thiazol-3-ium-2-yl)methylidene]-1,3-thiazolidin-4-one;methyl (2R)-2-[(2Z,5E)-2-[(3-benzyl-1,3-thiazol-3-ium-2-yl)methylidene]-5-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-4-oxo-1,3-thiazolidin-3-yl]propanoate;methyl 2-[(2Z,5E)-5-(7-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-4-oxo-2-(pyridin-2-ylmethylidene)-1,3-thiazolidin-3-yl]acetate;tetrachloride

(2Z,5E)-2-[(3-benzyl-1,3-thiazol-3-ium-2-yl)methylidene]-5-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)-3-ethyl-1,3-thiazolidin-4-one;(2Z,5E)-2-[(3-benzyl-1,3-thiazol-3-ium-2-yl)methylidene]-3-ethyl-5-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-1,3-thiazolidin-4-one;(2Z,5E)-5-(5-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-3-ethyl-2-[(3-methyl-1,3-thiazol-3-ium-2-yl)methylidene]-1,3-thiazolidin-4-one;methyl (2R)-2-[(2Z,5E)-2-[(3-benzyl-1,3-thiazol-3-ium-2-yl)methylidene]-5-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-4-oxo-1,3-thiazolidin-3-yl]propanoate;methyl 2-[(2Z,5E)-5-(7-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-4-oxo-2-(pyridin-2-ylmethylidene)-1,3-thiazolidin-3-yl]acetate;tetrachloride (PubChem CID 159170415) has the molecular formula C113H101Cl5F3N15O9S14 and a molecular weight of 2496.34 g/mol. Its IUPAC name is (2Z,5E)-2-[(3-benzyl-1,3-thiazol-3-ium-2-yl)methylidene]-5-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)-3-ethyl-1,3-thiazolidin-4-one;(2Z,5E)-2-[(3-benzyl-1,3-thiazol-3-ium-2-yl)methylidene]-3-ethyl-5-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-1,3-thiazolidin-4-one;(2Z,5E)-5-(5-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-3-ethyl-2-[(3-methyl-1,3-thiazol-3-ium-2-yl)methylidene]-1,3-thiazolidin-4-one;methyl (2R)-2-[(2Z,5E)-2-[(3-benzyl-1,3-thiazol-3-ium-2-yl)methylidene]-5-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-4-oxo-1,3-thiazolidin-3-yl]propanoate;methyl 2-[(2Z,5E)-5-(7-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-4-oxo-2-(pyridin-2-ylmethylidene)-1,3-thiazolidin-3-yl]acetate;tetrachloride.

Molecular Properties

Compound Name(2Z,5E)-2-[(3-benzyl-1,3-thiazol-3-ium-2-yl)methylidene]-5-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)-3-ethyl-1,3-thiazolidin-4-one;(2Z,5E)-2-[(3-benzyl-1,3-thiazol-3-ium-2-yl)methylidene]-3-ethyl-5-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-1,3-thiazolidin-4-one;(2Z,5E)-5-(5-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-3-ethyl-2-[(3-methyl-1,3-thiazol-3-ium-2-yl)methylidene]-1,3-thiazolidin-4-one;methyl (2R)-2-[(2Z,5E)-2-[(3-benzyl-1,3-thiazol-3-ium-2-yl)methylidene]-5-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-4-oxo-1,3-thiazolidin-3-yl]propanoate;methyl 2-[(2Z,5E)-5-(7-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-4-oxo-2-(pyridin-2-ylmethylidene)-1,3-thiazolidin-3-yl]acetate;tetrachloride
PubChem CID159170415
Molecular FormulaC113H101Cl5F3N15O9S14
Molecular Weight2496.34 g/mol
Exact Mass2491.24
IUPAC Name(2Z,5E)-2-[(3-benzyl-1,3-thiazol-3-ium-2-yl)methylidene]-5-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)-3-ethyl-1,3-thiazolidin-4-one;(2Z,5E)-2-[(3-benzyl-1,3-thiazol-3-ium-2-yl)methylidene]-3-ethyl-5-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-1,3-thiazolidin-4-one;(2Z,5E)-5-(5-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-3-ethyl-2-[(3-methyl-1,3-thiazol-3-ium-2-yl)methylidene]-1,3-thiazolidin-4-one;methyl (2R)-2-[(2Z,5E)-2-[(3-benzyl-1,3-thiazol-3-ium-2-yl)methylidene]-5-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-4-oxo-1,3-thiazolidin-3-yl]propanoate;methyl 2-[(2Z,5E)-5-(7-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-4-oxo-2-(pyridin-2-ylmethylidene)-1,3-thiazolidin-3-yl]acetate;tetrachloride
SMILESCCn1c(=O)/c(=C2\Sc3cc(C)ccc3N2C)s/c1=C\c1scc[n+]1Cc1ccccc1.CCn1c(=O)/c(=C2\Sc3cc(F)ccc3N2C)s/c1=C\c1scc[n+]1Cc1ccccc1.CCn1c(=O)/c(=C2\Sc3ccc(Cl)cc3N2C)s/c1=C\c1scc[n+]1C.COC(=O)Cn1c(=O)/c(=C2\Sc3c(F)cccc3N2C)s/c1=C\c1ccccn1.COC(=O)[C@@H](C)n1c(=O)/c(=C2\Sc3cc(F)ccc3N2C)s/c1=C\c1scc[n+]1Cc1ccccc1.[Cl-].[Cl-].[Cl-].[Cl-]
InChIInChI=1S/C26H23FN3O3S3.C25H24N3OS3.C24H21FN3OS3.C20H16FN3O3S2.C18H17ClN3OS3.4ClH/c1-16(26(32)33-3)30-22(14-21-29(11-12-34-21)15-17-7-5-4-6-8-17)36-23(24(30)31)25-28(2)19-10-9-18(27)13-20(19)35-25;1-4-28-22(15-21-27(12-13-30-21)16-18-8-6-5-7-9-18)32-23(24(28)29)25-26(3)19-11-10-17(2)14-20(19)31-25;1-3-28-21(14-20-27(11-12-30-20)15-16-7-5-4-6-8-16)32-22(23(28)29)24-26(2)18-10-9-17(25)13-19(18)31-24;1-23-14-8-5-7-13(21)17(14)29-20(23)18-19(26)24(11-16(25)27-2)15(28-18)10-12-6-3-4-9-22-12;1-4-22-15(10-14-20(2)7-8-24-14)26-16(17(22)23)18-21(3)12-9-11(19)5-6-13(12)25-18;;;;/h4-14,16H,15H2,1-3H3;5-15H,4,16H2,1-3H3;4-14H,3,15H2,1-2H3;3-10H,11H2,1-2H3;5-10H,4H2,1-3H3;4*1H/q3*+1;;+1;;;;/p-4/b2*25-23+;24-22+;15-10-,20-18+;18-16+;;;;/t16-;;;;;;;;/m1......../s1
InChIKeyYQYRNSIZCATYOF-CHTMMCMLSA-J
XLogP3.07
TPSA207.21 Ų
H-Bond Donors
H-Bond Acceptors34
Rotatable Bonds18
Heavy Atoms159
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002496.34
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1034

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze (2Z,5E)-2-[(3-benzyl-1,3-thiazol-3-ium-2-yl)methylidene]-5-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)-3-ethyl-1,3-thiazolidin-4-one;(2Z,5E)-2-[(3-benzyl-1,3-thiazol-3-ium-2-yl)methylidene]-3-ethyl-5-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-1,3-thiazolidin-4-one;(2Z,5E)-5-(5-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-3-ethyl-2-[(3-methyl-1,3-thiazol-3-ium-2-yl)methylidene]-1,3-thiazolidin-4-one;methyl (2R)-2-[(2Z,5E)-2-[(3-benzyl-1,3-thiazol-3-ium-2-yl)methylidene]-5-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-4-oxo-1,3-thiazolidin-3-yl]propanoate;methyl 2-[(2Z,5E)-5-(7-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-4-oxo-2-(pyridin-2-ylmethylidene)-1,3-thiazolidin-3-yl]acetate;tetrachloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2Z,5E)-2-[(3-benzyl-1,3-thiazol-3-ium-2-yl)methylidene]-5-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)-3-ethyl-1,3-thiazolidin-4-one;(2Z,5E)-2-[(3-benzyl-1,3-thiazol-3-ium-2-yl)methylidene]-3-ethyl-5-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-1,3-thiazolidin-4-one;(2Z,5E)-5-(5-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-3-ethyl-2-[(3-methyl-1,3-thiazol-3-ium-2-yl)methylidene]-1,3-thiazolidin-4-one;methyl (2R)-2-[(2Z,5E)-2-[(3-benzyl-1,3-thiazol-3-ium-2-yl)methylidene]-5-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-4-oxo-1,3-thiazolidin-3-yl]propanoate;methyl 2-[(2Z,5E)-5-(7-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-4-oxo-2-(pyridin-2-ylmethylidene)-1,3-thiazolidin-3-yl]acetate;tetrachloride?
The IUPAC name of (2Z,5E)-2-[(3-benzyl-1,3-thiazol-3-ium-2-yl)methylidene]-5-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)-3-ethyl-1,3-thiazolidin-4-one;(2Z,5E)-2-[(3-benzyl-1,3-thiazol-3-ium-2-yl)methylidene]-3-ethyl-5-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-1,3-thiazolidin-4-one;(2Z,5E)-5-(5-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-3-ethyl-2-[(3-methyl-1,3-thiazol-3-ium-2-yl)methylidene]-1,3-thiazolidin-4-one;methyl (2R)-2-[(2Z,5E)-2-[(3-benzyl-1,3-thiazol-3-ium-2-yl)methylidene]-5-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-4-oxo-1,3-thiazolidin-3-yl]propanoate;methyl 2-[(2Z,5E)-5-(7-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-4-oxo-2-(pyridin-2-ylmethylidene)-1,3-thiazolidin-3-yl]acetate;tetrachloride (CID 159170415) is (2Z,5E)-2-[(3-benzyl-1,3-thiazol-3-ium-2-yl)methylidene]-5-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)-3-ethyl-1,3-thiazolidin-4-one;(2Z,5E)-2-[(3-benzyl-1,3-thiazol-3-ium-2-yl)methylidene]-3-ethyl-5-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-1,3-thiazolidin-4-one;(2Z,5E)-5-(5-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-3-ethyl-2-[(3-methyl-1,3-thiazol-3-ium-2-yl)methylidene]-1,3-thiazolidin-4-one;methyl (2R)-2-[(2Z,5E)-2-[(3-benzyl-1,3-thiazol-3-ium-2-yl)methylidene]-5-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-4-oxo-1,3-thiazolidin-3-yl]propanoate;methyl 2-[(2Z,5E)-5-(7-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-4-oxo-2-(pyridin-2-ylmethylidene)-1,3-thiazolidin-3-yl]acetate;tetrachloride.
What is the SMILES notation for (2Z,5E)-2-[(3-benzyl-1,3-thiazol-3-ium-2-yl)methylidene]-5-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)-3-ethyl-1,3-thiazolidin-4-one;(2Z,5E)-2-[(3-benzyl-1,3-thiazol-3-ium-2-yl)methylidene]-3-ethyl-5-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-1,3-thiazolidin-4-one;(2Z,5E)-5-(5-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-3-ethyl-2-[(3-methyl-1,3-thiazol-3-ium-2-yl)methylidene]-1,3-thiazolidin-4-one;methyl (2R)-2-[(2Z,5E)-2-[(3-benzyl-1,3-thiazol-3-ium-2-yl)methylidene]-5-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-4-oxo-1,3-thiazolidin-3-yl]propanoate;methyl 2-[(2Z,5E)-5-(7-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-4-oxo-2-(pyridin-2-ylmethylidene)-1,3-thiazolidin-3-yl]acetate;tetrachloride?
The canonical SMILES for (2Z,5E)-2-[(3-benzyl-1,3-thiazol-3-ium-2-yl)methylidene]-5-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)-3-ethyl-1,3-thiazolidin-4-one;(2Z,5E)-2-[(3-benzyl-1,3-thiazol-3-ium-2-yl)methylidene]-3-ethyl-5-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-1,3-thiazolidin-4-one;(2Z,5E)-5-(5-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-3-ethyl-2-[(3-methyl-1,3-thiazol-3-ium-2-yl)methylidene]-1,3-thiazolidin-4-one;methyl (2R)-2-[(2Z,5E)-2-[(3-benzyl-1,3-thiazol-3-ium-2-yl)methylidene]-5-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-4-oxo-1,3-thiazolidin-3-yl]propanoate;methyl 2-[(2Z,5E)-5-(7-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-4-oxo-2-(pyridin-2-ylmethylidene)-1,3-thiazolidin-3-yl]acetate;tetrachloride is CCn1c(=O)/c(=C2\Sc3cc(C)ccc3N2C)s/c1=C\c1scc[n+]1Cc1ccccc1.CCn1c(=O)/c(=C2\Sc3cc(F)ccc3N2C)s/c1=C\c1scc[n+]1Cc1ccccc1.CCn1c(=O)/c(=C2\Sc3ccc(Cl)cc3N2C)s/c1=C\c1scc[n+]1C.COC(=O)Cn1c(=O)/c(=C2\Sc3c(F)cccc3N2C)s/c1=C\c1ccccn1.COC(=O)[C@@H](C)n1c(=O)/c(=C2\Sc3cc(F)ccc3N2C)s/c1=C\c1scc[n+]1Cc1ccccc1.[Cl-].[Cl-].[Cl-].[Cl-].
What is the InChIKey of (2Z,5E)-2-[(3-benzyl-1,3-thiazol-3-ium-2-yl)methylidene]-5-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)-3-ethyl-1,3-thiazolidin-4-one;(2Z,5E)-2-[(3-benzyl-1,3-thiazol-3-ium-2-yl)methylidene]-3-ethyl-5-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-1,3-thiazolidin-4-one;(2Z,5E)-5-(5-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-3-ethyl-2-[(3-methyl-1,3-thiazol-3-ium-2-yl)methylidene]-1,3-thiazolidin-4-one;methyl (2R)-2-[(2Z,5E)-2-[(3-benzyl-1,3-thiazol-3-ium-2-yl)methylidene]-5-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-4-oxo-1,3-thiazolidin-3-yl]propanoate;methyl 2-[(2Z,5E)-5-(7-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-4-oxo-2-(pyridin-2-ylmethylidene)-1,3-thiazolidin-3-yl]acetate;tetrachloride?
The InChIKey is YQYRNSIZCATYOF-CHTMMCMLSA-J. The full InChI is InChI=1S/C26H23FN3O3S3.C25H24N3OS3.C24H21FN3OS3.C20H16FN3O3S2.C18H17ClN3OS3.4ClH/c1-16(26(32)33-3)30-22(14-21-29(11-12-34-21)15-17-7-5-4-6-8-17)36-23(24(30)31)25-28(2)19-10-9-18(27)13-20(19)35-25;1-4-28-22(15-21-27(12-13-30-21)16-18-8-6-5-7-9-18)32-23(24(28)29)25-26(3)19-11-10-17(2)14-20(19)31-25;1-3-28-21(14-20-27(11-12-30-20)15-16-7-5-4-6-8-16)32-22(23(28)29)24-26(2)18-10-9-17(25)13-19(18)31-24;1-23-14-8-5-7-13(21)17(14)29-20(23)18-19(26)24(11-16(25)27-2)15(28-18)10-12-6-3-4-9-22-12;1-4-22-15(10-14-20(2)7-8-24-14)26-16(17(22)23)18-21(3)12-9-11(19)5-6-13(12)25-18;;;;/h4-14,16H,15H2,1-3H3;5-15H,4,16H2,1-3H3;4-14H,3,15H2,1-2H3;3-10H,11H2,1-2H3;5-10H,4H2,1-3H3;4*1H/q3*+1;;+1;;;;/p-4/b2*25-23+;24-22+;15-10-,20-18+;18-16+;;;;/t16-;;;;;;;;/m1......../s1.
What are the key properties of (2Z,5E)-2-[(3-benzyl-1,3-thiazol-3-ium-2-yl)methylidene]-5-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)-3-ethyl-1,3-thiazolidin-4-one;(2Z,5E)-2-[(3-benzyl-1,3-thiazol-3-ium-2-yl)methylidene]-3-ethyl-5-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-1,3-thiazolidin-4-one;(2Z,5E)-5-(5-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-3-ethyl-2-[(3-methyl-1,3-thiazol-3-ium-2-yl)methylidene]-1,3-thiazolidin-4-one;methyl (2R)-2-[(2Z,5E)-2-[(3-benzyl-1,3-thiazol-3-ium-2-yl)methylidene]-5-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-4-oxo-1,3-thiazolidin-3-yl]propanoate;methyl 2-[(2Z,5E)-5-(7-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-4-oxo-2-(pyridin-2-ylmethylidene)-1,3-thiazolidin-3-yl]acetate;tetrachloride?
(2Z,5E)-2-[(3-benzyl-1,3-thiazol-3-ium-2-yl)methylidene]-5-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)-3-ethyl-1,3-thiazolidin-4-one;(2Z,5E)-2-[(3-benzyl-1,3-thiazol-3-ium-2-yl)methylidene]-3-ethyl-5-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-1,3-thiazolidin-4-one;(2Z,5E)-5-(5-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-3-ethyl-2-[(3-methyl-1,3-thiazol-3-ium-2-yl)methylidene]-1,3-thiazolidin-4-one;methyl (2R)-2-[(2Z,5E)-2-[(3-benzyl-1,3-thiazol-3-ium-2-yl)methylidene]-5-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-4-oxo-1,3-thiazolidin-3-yl]propanoate;methyl 2-[(2Z,5E)-5-(7-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-4-oxo-2-(pyridin-2-ylmethylidene)-1,3-thiazolidin-3-yl]acetate;tetrachloride has a molecular weight of 2496.34 g/mol, XLogP of 3.07, 18 rotatable bonds, 0 hydrogen bond donors, and 34 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-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)-3-ethyl-1,3-thiazolidin-4-one;(2Z,5E)-2-[(3-benzyl-1,3-thiazol-3-ium-2-yl)methylidene]-3-ethyl-5-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-1,3-thiazolidin-4-one;(2Z,5E)-5-(5-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-3-ethyl-2-[(3-methyl-1,3-thiazol-3-ium-2-yl)methylidene]-1,3-thiazolidin-4-one;methyl (2R)-2-[(2Z,5E)-2-[(3-benzyl-1,3-thiazol-3-ium-2-yl)methylidene]-5-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-4-oxo-1,3-thiazolidin-3-yl]propanoate;methyl 2-[(2Z,5E)-5-(7-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-4-oxo-2-(pyridin-2-ylmethylidene)-1,3-thiazolidin-3-yl]acetate;tetrachloride is sourced from PubChem (CID 159170415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).