(2Z,5E)-2-[(3-benzyl-1,3-thiazol-3-ium-2-yl)methylidene]-3-ethyl-5-(7-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-1,3-thiazolidin-4-one;(2Z,5E)-5-(6-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-2-[[3-[[2-(difluoromethoxy)phenyl]methyl]-1,3-thiazol-3-ium-2-yl]methylidene]-3-ethyl-1,3-thiazolidin-4-one;(2Z,5E)-3-cyclopropyl-5-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-2-(pyridin-4-ylmethylidene)-1,3-thiazolidin-4-one;2-[[2-[(Z)-[(5E)-3-ethyl-5-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-4-oxo-1,3-thiazolidin-2-ylidene]methyl]-1,3-thiazol-3-ium-3-yl]methyl]benzonitrile;(2Z,5E)-3-ethyl-5-(5-isocyano-3-methyl-1,3-benzothiazol-2-ylidene)-2-(pyridin-2-ylmethylidene)-1,3-thiazolidin-4-one;trichloride

C114H94Cl4F5N17O6S13 — CID 160602170

IUPAC(2Z,5E)-2-[(3-benzyl-1,3-thiazol-3-ium-2-yl)methylidene]-3-ethyl-5-(7-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-1,3-thiazolidin-4-one;(2Z,5E)-5-(6-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-2-[[3-[[2-(difluoromethoxy)phenyl]methyl]-1,3-thiazol-3-ium-2-yl]methylidene]-3-ethyl-1,3-thiazolidin-4-one;(2Z,5E)-3-cyclopropyl-5-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-2-(pyridin-4-ylmethylidene)-1,3-thiazolidin-4-one;2-[[2-[(Z)-[(5E)-3-ethyl-5-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-4-oxo-1,3-thiazolidin-2-ylidene]methyl]-1,3-thiazol-3-ium-3-yl]methyl]benzonitrile;(2Z,5E)-3-ethyl-5-(5-isocyano-3-methyl-1,3-benzothiazol-2-ylidene)-2-(pyridin-2-ylmethylidene)-1,3-thiazolidin-4-one;trichloride
SMILESCCn1c(=O)/c(=C2\Sc3c(F)cccc3N2C)s/c1=C\c1scc[n+]1Cc1ccccc1.CCn1c(=O)/c(=C2\Sc3cc(Cl)ccc3N2C)s/c1=C\c1scc[n+]1Cc1ccccc1OC(F)F.CCn1c(=O)/c(=C2\Sc3cc(F)ccc3N2C)s/c1=C\c1scc[n+]1Cc1ccccc1C#N.CN1/C(=c2\s/c(=C\c3ccncc3)n(C3CC3)c2=O)Sc2cc(F)ccc21.[C-]#[N+]c1ccc2c(c1)N(C)/C(=c1\s/c(=C\c3ccccn3)n(CC)c1=O)S2.[Cl-].[Cl-].[Cl-]
InChIInChI=1S/C25H21ClF2N3O2S3.C25H20FN4OS3.C24H21FN3OS3.C20H16FN3OS2.C20H16N4OS2.3ClH/c1-3-31-21(36-22(23(31)32)24-29(2)17-9-8-16(26)12-19(17)35-24)13-20-30(10-11-34-20)14-15-6-4-5-7-18(15)33-25(27)28;1-3-30-22(13-21-29(10-11-32-21)15-17-7-5-4-6-16(17)14-27)34-23(24(30)31)25-28(2)19-9-8-18(26)12-20(19)33-25;1-3-28-20(14-19-27(12-13-30-19)15-16-8-5-4-6-9-16)31-22(23(28)29)24-26(2)18-11-7-10-17(25)21(18)32-24;1-23-15-5-2-13(21)11-16(15)26-20(23)18-19(25)24(14-3-4-14)17(27-18)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)15-11-13(21-2)8-9-16(15)26-20;;;/h4-13,25H,3,14H2,1-2H3;4-13H,3,15H2,1-2H3;4-14H,3,15H2,1-2H3;2,5-11,14H,3-4H2,1H3;5-12H,4H2,1,3H3;3*1H/q3*+1;;;;;/p-3/b24-22+;25-23+;24-22+;17-10-,20-18+;17-12-,20-18+;;;
InChIKeyYOTSJQCXVNIHSS-HHZGILACSA-K
MW2451.79 g/mol
LogP8.73
Rot. Bonds18

About (2Z,5E)-2-[(3-benzyl-1,3-thiazol-3-ium-2-yl)methylidene]-3-ethyl-5-(7-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-1,3-thiazolidin-4-one;(2Z,5E)-5-(6-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-2-[[3-[[2-(difluoromethoxy)phenyl]methyl]-1,3-thiazol-3-ium-2-yl]methylidene]-3-ethyl-1,3-thiazolidin-4-one;(2Z,5E)-3-cyclopropyl-5-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-2-(pyridin-4-ylmethylidene)-1,3-thiazolidin-4-one;2-[[2-[(Z)-[(5E)-3-ethyl-5-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-4-oxo-1,3-thiazolidin-2-ylidene]methyl]-1,3-thiazol-3-ium-3-yl]methyl]benzonitrile;(2Z,5E)-3-ethyl-5-(5-isocyano-3-methyl-1,3-benzothiazol-2-ylidene)-2-(pyridin-2-ylmethylidene)-1,3-thiazolidin-4-one;trichloride

(2Z,5E)-2-[(3-benzyl-1,3-thiazol-3-ium-2-yl)methylidene]-3-ethyl-5-(7-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-1,3-thiazolidin-4-one;(2Z,5E)-5-(6-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-2-[[3-[[2-(difluoromethoxy)phenyl]methyl]-1,3-thiazol-3-ium-2-yl]methylidene]-3-ethyl-1,3-thiazolidin-4-one;(2Z,5E)-3-cyclopropyl-5-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-2-(pyridin-4-ylmethylidene)-1,3-thiazolidin-4-one;2-[[2-[(Z)-[(5E)-3-ethyl-5-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-4-oxo-1,3-thiazolidin-2-ylidene]methyl]-1,3-thiazol-3-ium-3-yl]methyl]benzonitrile;(2Z,5E)-3-ethyl-5-(5-isocyano-3-methyl-1,3-benzothiazol-2-ylidene)-2-(pyridin-2-ylmethylidene)-1,3-thiazolidin-4-one;trichloride (PubChem CID 160602170) has the molecular formula C114H94Cl4F5N17O6S13 and a molecular weight of 2451.79 g/mol. Its IUPAC name is (2Z,5E)-2-[(3-benzyl-1,3-thiazol-3-ium-2-yl)methylidene]-3-ethyl-5-(7-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-1,3-thiazolidin-4-one;(2Z,5E)-5-(6-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-2-[[3-[[2-(difluoromethoxy)phenyl]methyl]-1,3-thiazol-3-ium-2-yl]methylidene]-3-ethyl-1,3-thiazolidin-4-one;(2Z,5E)-3-cyclopropyl-5-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-2-(pyridin-4-ylmethylidene)-1,3-thiazolidin-4-one;2-[[2-[(Z)-[(5E)-3-ethyl-5-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-4-oxo-1,3-thiazolidin-2-ylidene]methyl]-1,3-thiazol-3-ium-3-yl]methyl]benzonitrile;(2Z,5E)-3-ethyl-5-(5-isocyano-3-methyl-1,3-benzothiazol-2-ylidene)-2-(pyridin-2-ylmethylidene)-1,3-thiazolidin-4-one;trichloride.

Molecular Properties

Compound Name(2Z,5E)-2-[(3-benzyl-1,3-thiazol-3-ium-2-yl)methylidene]-3-ethyl-5-(7-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-1,3-thiazolidin-4-one;(2Z,5E)-5-(6-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-2-[[3-[[2-(difluoromethoxy)phenyl]methyl]-1,3-thiazol-3-ium-2-yl]methylidene]-3-ethyl-1,3-thiazolidin-4-one;(2Z,5E)-3-cyclopropyl-5-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-2-(pyridin-4-ylmethylidene)-1,3-thiazolidin-4-one;2-[[2-[(Z)-[(5E)-3-ethyl-5-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-4-oxo-1,3-thiazolidin-2-ylidene]methyl]-1,3-thiazol-3-ium-3-yl]methyl]benzonitrile;(2Z,5E)-3-ethyl-5-(5-isocyano-3-methyl-1,3-benzothiazol-2-ylidene)-2-(pyridin-2-ylmethylidene)-1,3-thiazolidin-4-one;trichloride
PubChem CID160602170
Molecular FormulaC114H94Cl4F5N17O6S13
Molecular Weight2451.79 g/mol
Exact Mass2447.26
IUPAC Name(2Z,5E)-2-[(3-benzyl-1,3-thiazol-3-ium-2-yl)methylidene]-3-ethyl-5-(7-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-1,3-thiazolidin-4-one;(2Z,5E)-5-(6-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-2-[[3-[[2-(difluoromethoxy)phenyl]methyl]-1,3-thiazol-3-ium-2-yl]methylidene]-3-ethyl-1,3-thiazolidin-4-one;(2Z,5E)-3-cyclopropyl-5-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-2-(pyridin-4-ylmethylidene)-1,3-thiazolidin-4-one;2-[[2-[(Z)-[(5E)-3-ethyl-5-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-4-oxo-1,3-thiazolidin-2-ylidene]methyl]-1,3-thiazol-3-ium-3-yl]methyl]benzonitrile;(2Z,5E)-3-ethyl-5-(5-isocyano-3-methyl-1,3-benzothiazol-2-ylidene)-2-(pyridin-2-ylmethylidene)-1,3-thiazolidin-4-one;trichloride
SMILESCCn1c(=O)/c(=C2\Sc3c(F)cccc3N2C)s/c1=C\c1scc[n+]1Cc1ccccc1.CCn1c(=O)/c(=C2\Sc3cc(Cl)ccc3N2C)s/c1=C\c1scc[n+]1Cc1ccccc1OC(F)F.CCn1c(=O)/c(=C2\Sc3cc(F)ccc3N2C)s/c1=C\c1scc[n+]1Cc1ccccc1C#N.CN1/C(=c2\s/c(=C\c3ccncc3)n(C3CC3)c2=O)Sc2cc(F)ccc21.[C-]#[N+]c1ccc2c(c1)N(C)/C(=c1\s/c(=C\c3ccccn3)n(CC)c1=O)S2.[Cl-].[Cl-].[Cl-]
InChIInChI=1S/C25H21ClF2N3O2S3.C25H20FN4OS3.C24H21FN3OS3.C20H16FN3OS2.C20H16N4OS2.3ClH/c1-3-31-21(36-22(23(31)32)24-29(2)17-9-8-16(26)12-19(17)35-24)13-20-30(10-11-34-20)14-15-6-4-5-7-18(15)33-25(27)28;1-3-30-22(13-21-29(10-11-32-21)15-17-7-5-4-6-16(17)14-27)34-23(24(30)31)25-28(2)19-9-8-18(26)12-20(19)33-25;1-3-28-20(14-19-27(12-13-30-19)15-16-8-5-4-6-9-16)31-22(23(28)29)24-26(2)18-11-7-10-17(25)21(18)32-24;1-23-15-5-2-13(21)11-16(15)26-20(23)18-19(25)24(14-3-4-14)17(27-18)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)15-11-13(21-2)8-9-16(15)26-20;;;/h4-13,25H,3,14H2,1-2H3;4-13H,3,15H2,1-2H3;4-14H,3,15H2,1-2H3;2,5-11,14H,3-4H2,1H3;5-12H,4H2,1,3H3;3*1H/q3*+1;;;;;/p-3/b24-22+;25-23+;24-22+;17-10-,20-18+;17-12-,20-18+;;;
InChIKeyYOTSJQCXVNIHSS-HHZGILACSA-K
XLogP8.73
TPSA201.00 Ų
H-Bond Donors
H-Bond Acceptors32
Rotatable Bonds18
Heavy Atoms159
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002451.79
LogP ≤ 58.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1032

Computed Properties (RDKit)

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

Analyze (2Z,5E)-2-[(3-benzyl-1,3-thiazol-3-ium-2-yl)methylidene]-3-ethyl-5-(7-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-1,3-thiazolidin-4-one;(2Z,5E)-5-(6-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-2-[[3-[[2-(difluoromethoxy)phenyl]methyl]-1,3-thiazol-3-ium-2-yl]methylidene]-3-ethyl-1,3-thiazolidin-4-one;(2Z,5E)-3-cyclopropyl-5-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-2-(pyridin-4-ylmethylidene)-1,3-thiazolidin-4-one;2-[[2-[(Z)-[(5E)-3-ethyl-5-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-4-oxo-1,3-thiazolidin-2-ylidene]methyl]-1,3-thiazol-3-ium-3-yl]methyl]benzonitrile;(2Z,5E)-3-ethyl-5-(5-isocyano-3-methyl-1,3-benzothiazol-2-ylidene)-2-(pyridin-2-ylmethylidene)-1,3-thiazolidin-4-one;trichloride 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]-3-ethyl-5-(7-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-1,3-thiazolidin-4-one;(2Z,5E)-5-(6-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-2-[[3-[[2-(difluoromethoxy)phenyl]methyl]-1,3-thiazol-3-ium-2-yl]methylidene]-3-ethyl-1,3-thiazolidin-4-one;(2Z,5E)-3-cyclopropyl-5-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-2-(pyridin-4-ylmethylidene)-1,3-thiazolidin-4-one;2-[[2-[(Z)-[(5E)-3-ethyl-5-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-4-oxo-1,3-thiazolidin-2-ylidene]methyl]-1,3-thiazol-3-ium-3-yl]methyl]benzonitrile;(2Z,5E)-3-ethyl-5-(5-isocyano-3-methyl-1,3-benzothiazol-2-ylidene)-2-(pyridin-2-ylmethylidene)-1,3-thiazolidin-4-one;trichloride?
The IUPAC name of (2Z,5E)-2-[(3-benzyl-1,3-thiazol-3-ium-2-yl)methylidene]-3-ethyl-5-(7-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-1,3-thiazolidin-4-one;(2Z,5E)-5-(6-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-2-[[3-[[2-(difluoromethoxy)phenyl]methyl]-1,3-thiazol-3-ium-2-yl]methylidene]-3-ethyl-1,3-thiazolidin-4-one;(2Z,5E)-3-cyclopropyl-5-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-2-(pyridin-4-ylmethylidene)-1,3-thiazolidin-4-one;2-[[2-[(Z)-[(5E)-3-ethyl-5-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-4-oxo-1,3-thiazolidin-2-ylidene]methyl]-1,3-thiazol-3-ium-3-yl]methyl]benzonitrile;(2Z,5E)-3-ethyl-5-(5-isocyano-3-methyl-1,3-benzothiazol-2-ylidene)-2-(pyridin-2-ylmethylidene)-1,3-thiazolidin-4-one;trichloride (CID 160602170) is (2Z,5E)-2-[(3-benzyl-1,3-thiazol-3-ium-2-yl)methylidene]-3-ethyl-5-(7-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-1,3-thiazolidin-4-one;(2Z,5E)-5-(6-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-2-[[3-[[2-(difluoromethoxy)phenyl]methyl]-1,3-thiazol-3-ium-2-yl]methylidene]-3-ethyl-1,3-thiazolidin-4-one;(2Z,5E)-3-cyclopropyl-5-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-2-(pyridin-4-ylmethylidene)-1,3-thiazolidin-4-one;2-[[2-[(Z)-[(5E)-3-ethyl-5-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-4-oxo-1,3-thiazolidin-2-ylidene]methyl]-1,3-thiazol-3-ium-3-yl]methyl]benzonitrile;(2Z,5E)-3-ethyl-5-(5-isocyano-3-methyl-1,3-benzothiazol-2-ylidene)-2-(pyridin-2-ylmethylidene)-1,3-thiazolidin-4-one;trichloride.
What is the SMILES notation for (2Z,5E)-2-[(3-benzyl-1,3-thiazol-3-ium-2-yl)methylidene]-3-ethyl-5-(7-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-1,3-thiazolidin-4-one;(2Z,5E)-5-(6-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-2-[[3-[[2-(difluoromethoxy)phenyl]methyl]-1,3-thiazol-3-ium-2-yl]methylidene]-3-ethyl-1,3-thiazolidin-4-one;(2Z,5E)-3-cyclopropyl-5-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-2-(pyridin-4-ylmethylidene)-1,3-thiazolidin-4-one;2-[[2-[(Z)-[(5E)-3-ethyl-5-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-4-oxo-1,3-thiazolidin-2-ylidene]methyl]-1,3-thiazol-3-ium-3-yl]methyl]benzonitrile;(2Z,5E)-3-ethyl-5-(5-isocyano-3-methyl-1,3-benzothiazol-2-ylidene)-2-(pyridin-2-ylmethylidene)-1,3-thiazolidin-4-one;trichloride?
The canonical SMILES for (2Z,5E)-2-[(3-benzyl-1,3-thiazol-3-ium-2-yl)methylidene]-3-ethyl-5-(7-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-1,3-thiazolidin-4-one;(2Z,5E)-5-(6-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-2-[[3-[[2-(difluoromethoxy)phenyl]methyl]-1,3-thiazol-3-ium-2-yl]methylidene]-3-ethyl-1,3-thiazolidin-4-one;(2Z,5E)-3-cyclopropyl-5-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-2-(pyridin-4-ylmethylidene)-1,3-thiazolidin-4-one;2-[[2-[(Z)-[(5E)-3-ethyl-5-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-4-oxo-1,3-thiazolidin-2-ylidene]methyl]-1,3-thiazol-3-ium-3-yl]methyl]benzonitrile;(2Z,5E)-3-ethyl-5-(5-isocyano-3-methyl-1,3-benzothiazol-2-ylidene)-2-(pyridin-2-ylmethylidene)-1,3-thiazolidin-4-one;trichloride is CCn1c(=O)/c(=C2\Sc3c(F)cccc3N2C)s/c1=C\c1scc[n+]1Cc1ccccc1.CCn1c(=O)/c(=C2\Sc3cc(Cl)ccc3N2C)s/c1=C\c1scc[n+]1Cc1ccccc1OC(F)F.CCn1c(=O)/c(=C2\Sc3cc(F)ccc3N2C)s/c1=C\c1scc[n+]1Cc1ccccc1C#N.CN1/C(=c2\s/c(=C\c3ccncc3)n(C3CC3)c2=O)Sc2cc(F)ccc21.[C-]#[N+]c1ccc2c(c1)N(C)/C(=c1\s/c(=C\c3ccccn3)n(CC)c1=O)S2.[Cl-].[Cl-].[Cl-].
What is the InChIKey of (2Z,5E)-2-[(3-benzyl-1,3-thiazol-3-ium-2-yl)methylidene]-3-ethyl-5-(7-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-1,3-thiazolidin-4-one;(2Z,5E)-5-(6-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-2-[[3-[[2-(difluoromethoxy)phenyl]methyl]-1,3-thiazol-3-ium-2-yl]methylidene]-3-ethyl-1,3-thiazolidin-4-one;(2Z,5E)-3-cyclopropyl-5-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-2-(pyridin-4-ylmethylidene)-1,3-thiazolidin-4-one;2-[[2-[(Z)-[(5E)-3-ethyl-5-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-4-oxo-1,3-thiazolidin-2-ylidene]methyl]-1,3-thiazol-3-ium-3-yl]methyl]benzonitrile;(2Z,5E)-3-ethyl-5-(5-isocyano-3-methyl-1,3-benzothiazol-2-ylidene)-2-(pyridin-2-ylmethylidene)-1,3-thiazolidin-4-one;trichloride?
The InChIKey is YOTSJQCXVNIHSS-HHZGILACSA-K. The full InChI is InChI=1S/C25H21ClF2N3O2S3.C25H20FN4OS3.C24H21FN3OS3.C20H16FN3OS2.C20H16N4OS2.3ClH/c1-3-31-21(36-22(23(31)32)24-29(2)17-9-8-16(26)12-19(17)35-24)13-20-30(10-11-34-20)14-15-6-4-5-7-18(15)33-25(27)28;1-3-30-22(13-21-29(10-11-32-21)15-17-7-5-4-6-16(17)14-27)34-23(24(30)31)25-28(2)19-9-8-18(26)12-20(19)33-25;1-3-28-20(14-19-27(12-13-30-19)15-16-8-5-4-6-9-16)31-22(23(28)29)24-26(2)18-11-7-10-17(25)21(18)32-24;1-23-15-5-2-13(21)11-16(15)26-20(23)18-19(25)24(14-3-4-14)17(27-18)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)15-11-13(21-2)8-9-16(15)26-20;;;/h4-13,25H,3,14H2,1-2H3;4-13H,3,15H2,1-2H3;4-14H,3,15H2,1-2H3;2,5-11,14H,3-4H2,1H3;5-12H,4H2,1,3H3;3*1H/q3*+1;;;;;/p-3/b24-22+;25-23+;24-22+;17-10-,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-(7-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-1,3-thiazolidin-4-one;(2Z,5E)-5-(6-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-2-[[3-[[2-(difluoromethoxy)phenyl]methyl]-1,3-thiazol-3-ium-2-yl]methylidene]-3-ethyl-1,3-thiazolidin-4-one;(2Z,5E)-3-cyclopropyl-5-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-2-(pyridin-4-ylmethylidene)-1,3-thiazolidin-4-one;2-[[2-[(Z)-[(5E)-3-ethyl-5-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-4-oxo-1,3-thiazolidin-2-ylidene]methyl]-1,3-thiazol-3-ium-3-yl]methyl]benzonitrile;(2Z,5E)-3-ethyl-5-(5-isocyano-3-methyl-1,3-benzothiazol-2-ylidene)-2-(pyridin-2-ylmethylidene)-1,3-thiazolidin-4-one;trichloride?
(2Z,5E)-2-[(3-benzyl-1,3-thiazol-3-ium-2-yl)methylidene]-3-ethyl-5-(7-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-1,3-thiazolidin-4-one;(2Z,5E)-5-(6-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-2-[[3-[[2-(difluoromethoxy)phenyl]methyl]-1,3-thiazol-3-ium-2-yl]methylidene]-3-ethyl-1,3-thiazolidin-4-one;(2Z,5E)-3-cyclopropyl-5-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-2-(pyridin-4-ylmethylidene)-1,3-thiazolidin-4-one;2-[[2-[(Z)-[(5E)-3-ethyl-5-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-4-oxo-1,3-thiazolidin-2-ylidene]methyl]-1,3-thiazol-3-ium-3-yl]methyl]benzonitrile;(2Z,5E)-3-ethyl-5-(5-isocyano-3-methyl-1,3-benzothiazol-2-ylidene)-2-(pyridin-2-ylmethylidene)-1,3-thiazolidin-4-one;trichloride has a molecular weight of 2451.79 g/mol, XLogP of 8.73, 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]-3-ethyl-5-(7-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-1,3-thiazolidin-4-one;(2Z,5E)-5-(6-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-2-[[3-[[2-(difluoromethoxy)phenyl]methyl]-1,3-thiazol-3-ium-2-yl]methylidene]-3-ethyl-1,3-thiazolidin-4-one;(2Z,5E)-3-cyclopropyl-5-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-2-(pyridin-4-ylmethylidene)-1,3-thiazolidin-4-one;2-[[2-[(Z)-[(5E)-3-ethyl-5-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-4-oxo-1,3-thiazolidin-2-ylidene]methyl]-1,3-thiazol-3-ium-3-yl]methyl]benzonitrile;(2Z,5E)-3-ethyl-5-(5-isocyano-3-methyl-1,3-benzothiazol-2-ylidene)-2-(pyridin-2-ylmethylidene)-1,3-thiazolidin-4-one;trichloride is sourced from PubChem (CID 160602170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).