(2Z,5E)-2-[(3-benzyl-1,3-thiazol-3-ium-2-yl)methylidene]-3-ethyl-5-(5-isocyano-3-methyl-1,3-benzothiazol-2-ylidene)-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;dichloride

C90H73Cl2F2N15O4S10 — CID 157093487

About (2Z,5E)-2-[(3-benzyl-1,3-thiazol-3-ium-2-yl)methylidene]-3-ethyl-5-(5-isocyano-3-methyl-1,3-benzothiazol-2-ylidene)-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;dichloride

(2Z,5E)-2-[(3-benzyl-1,3-thiazol-3-ium-2-yl)methylidene]-3-ethyl-5-(5-isocyano-3-methyl-1,3-benzothiazol-2-ylidene)-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;dichloride (PubChem CID 157093487) has the molecular formula C90H73Cl2F2N15O4S10 and a molecular weight of 1858.25 g/mol. Its IUPAC name is (2Z,5E)-2-[(3-benzyl-1,3-thiazol-3-ium-2-yl)methylidene]-3-ethyl-5-(5-isocyano-3-methyl-1,3-benzothiazol-2-ylidene)-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;dichloride.

Molecular Properties

• Compound Name: (2Z,5E)-2-[(3-benzyl-1,3-thiazol-3-ium-2-yl)methylidene]-3-ethyl-5-(5-isocyano-3-methyl-1,3-benzothiazol-2-ylidene)-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;dichloride
• PubChem CID: 157093487
• Molecular Formula: C90H73Cl2F2N15O4S10
• Molecular Weight: 1858.25 g/mol
• Exact Mass: 1855.25
• IUPAC Name: (2Z,5E)-2-[(3-benzyl-1,3-thiazol-3-ium-2-yl)methylidene]-3-ethyl-5-(5-isocyano-3-methyl-1,3-benzothiazol-2-ylidene)-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;dichloride
• SMILES: 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.[C-]#[N+]c1ccc2c(c1)N(C)/C(=c1\s/c(=C\c3scc[n+]3Cc3ccccc3)n(CC)c1=O)S2.[Cl-].[Cl-]
• InChI: InChI=1S/C25H20FN4OS3.C25H21N4OS3.C20H16FN3OS2.C20H16N4OS2.2ClH/c1-3-30-22(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;1-4-29-22(15-21-28(12-13-31-21)16-17-8-6-5-7-9-17)33-23(24(29)30)25-27(3)19-14-18(26-2)10-11-20(19)32-25;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;;/h4-13H,3,15H2,1-2H3;5-15H,4,16H2,1,3H3;2,5-11,14H,3-4H2,1H3;5-12H,4H2,1,3H3;2*1H/q2*+1;;;;/p-2/b2*25-23+;17-10-,20-18+;17-12-,20-18+
• InChIKey: XVQRVXMLEBEVOW-CTTGODNGSA-L
• XLogP: 7.42
• TPSA: 167.01 Ų
• H-Bond Acceptors: 25
• Rotatable Bonds: 12
• Heavy Atoms: 123
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1858.25
LogP ≤ 5	7.42
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

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

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-(5-isocyano-3-methyl-1,3-benzothiazol-2-ylidene)-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;dichloride?

The IUPAC name of (2Z,5E)-2-[(3-benzyl-1,3-thiazol-3-ium-2-yl)methylidene]-3-ethyl-5-(5-isocyano-3-methyl-1,3-benzothiazol-2-ylidene)-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;dichloride (CID 157093487) is (2Z,5E)-2-[(3-benzyl-1,3-thiazol-3-ium-2-yl)methylidene]-3-ethyl-5-(5-isocyano-3-methyl-1,3-benzothiazol-2-ylidene)-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;dichloride.

What is the SMILES notation for (2Z,5E)-2-[(3-benzyl-1,3-thiazol-3-ium-2-yl)methylidene]-3-ethyl-5-(5-isocyano-3-methyl-1,3-benzothiazol-2-ylidene)-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;dichloride?

The canonical SMILES for (2Z,5E)-2-[(3-benzyl-1,3-thiazol-3-ium-2-yl)methylidene]-3-ethyl-5-(5-isocyano-3-methyl-1,3-benzothiazol-2-ylidene)-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;dichloride is 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.[C-]#[N+]c1ccc2c(c1)N(C)/C(=c1\s/c(=C\c3scc[n+]3Cc3ccccc3)n(CC)c1=O)S2.[Cl-].[Cl-].

What is the InChIKey of (2Z,5E)-2-[(3-benzyl-1,3-thiazol-3-ium-2-yl)methylidene]-3-ethyl-5-(5-isocyano-3-methyl-1,3-benzothiazol-2-ylidene)-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;dichloride?

The InChIKey is XVQRVXMLEBEVOW-CTTGODNGSA-L. The full InChI is InChI=1S/C25H20FN4OS3.C25H21N4OS3.C20H16FN3OS2.C20H16N4OS2.2ClH/c1-3-30-22(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;1-4-29-22(15-21-28(12-13-31-21)16-17-8-6-5-7-9-17)33-23(24(29)30)25-27(3)19-14-18(26-2)10-11-20(19)32-25;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;;/h4-13H,3,15H2,1-2H3;5-15H,4,16H2,1,3H3;2,5-11,14H,3-4H2,1H3;5-12H,4H2,1,3H3;2*1H/q2*+1;;;;/p-2/b2*25-23+;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-(5-isocyano-3-methyl-1,3-benzothiazol-2-ylidene)-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;dichloride?

(2Z,5E)-2-[(3-benzyl-1,3-thiazol-3-ium-2-yl)methylidene]-3-ethyl-5-(5-isocyano-3-methyl-1,3-benzothiazol-2-ylidene)-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;dichloride has a molecular weight of 1858.25 g/mol, XLogP of 7.42, 12 rotatable bonds, 0 hydrogen bond donors, and 25 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-(5-isocyano-3-methyl-1,3-benzothiazol-2-ylidene)-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;dichloride is sourced from PubChem (CID 157093487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).