(2Z,5E)-5-(6-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-3-ethyl-2-[[3-(1-oxo-1-phenylpropan-2-yl)-1,3-thiazol-3-ium-2-yl]methylidene]-1,3-thiazolidin-4-one;(2Z,5E)-5-(6-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-3-ethyl-2-(1,3-thiazol-2-ylmethylidene)-1,3-thiazolidin-4-one;(2Z,5E)-5-(6-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-3-ethyl-2-[[3-[[3-(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-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-(pyridin-4-ylmethylidene)-1,3-thiazolidin-4-one;trichloride

C107H96Cl6F3N15O6S14 — CID 158839206

About (2Z,5E)-5-(6-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-3-ethyl-2-[[3-(1-oxo-1-phenylpropan-2-yl)-1,3-thiazol-3-ium-2-yl]methylidene]-1,3-thiazolidin-4-one;(2Z,5E)-5-(6-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-3-ethyl-2-(1,3-thiazol-2-ylmethylidene)-1,3-thiazolidin-4-one;(2Z,5E)-5-(6-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-3-ethyl-2-[[3-[[3-(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-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-(pyridin-4-ylmethylidene)-1,3-thiazolidin-4-one;trichloride

(2Z,5E)-5-(6-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-3-ethyl-2-[[3-(1-oxo-1-phenylpropan-2-yl)-1,3-thiazol-3-ium-2-yl]methylidene]-1,3-thiazolidin-4-one;(2Z,5E)-5-(6-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-3-ethyl-2-(1,3-thiazol-2-ylmethylidene)-1,3-thiazolidin-4-one;(2Z,5E)-5-(6-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-3-ethyl-2-[[3-[[3-(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-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-(pyridin-4-ylmethylidene)-1,3-thiazolidin-4-one;trichloride (PubChem CID 158839206) has the molecular formula C107H96Cl6F3N15O6S14 and a molecular weight of 2406.69 g/mol. Its IUPAC name is (2Z,5E)-5-(6-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-3-ethyl-2-[[3-(1-oxo-1-phenylpropan-2-yl)-1,3-thiazol-3-ium-2-yl]methylidene]-1,3-thiazolidin-4-one;(2Z,5E)-5-(6-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-3-ethyl-2-(1,3-thiazol-2-ylmethylidene)-1,3-thiazolidin-4-one;(2Z,5E)-5-(6-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-3-ethyl-2-[[3-[[3-(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-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-(pyridin-4-ylmethylidene)-1,3-thiazolidin-4-one;trichloride.

Molecular Properties

• Compound Name: (2Z,5E)-5-(6-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-3-ethyl-2-[[3-(1-oxo-1-phenylpropan-2-yl)-1,3-thiazol-3-ium-2-yl]methylidene]-1,3-thiazolidin-4-one;(2Z,5E)-5-(6-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-3-ethyl-2-(1,3-thiazol-2-ylmethylidene)-1,3-thiazolidin-4-one;(2Z,5E)-5-(6-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-3-ethyl-2-[[3-[[3-(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-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-(pyridin-4-ylmethylidene)-1,3-thiazolidin-4-one;trichloride
• PubChem CID: 158839206
• Molecular Formula: C107H96Cl6F3N15O6S14
• Molecular Weight: 2406.69 g/mol
• Exact Mass: 2401.18
• IUPAC Name: (2Z,5E)-5-(6-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-3-ethyl-2-[[3-(1-oxo-1-phenylpropan-2-yl)-1,3-thiazol-3-ium-2-yl]methylidene]-1,3-thiazolidin-4-one;(2Z,5E)-5-(6-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-3-ethyl-2-(1,3-thiazol-2-ylmethylidene)-1,3-thiazolidin-4-one;(2Z,5E)-5-(6-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-3-ethyl-2-[[3-[[3-(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-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-(pyridin-4-ylmethylidene)-1,3-thiazolidin-4-one;trichloride
• SMILES: CCn1c(=O)/c(=C2\Sc3cc(C)ccc3N2C)s/c1=C\c1ccncc1.CCn1c(=O)/c(=C2\Sc3cc(C)ccc3N2C)s/c1=C\c1scc[n+]1C.CCn1c(=O)/c(=C2\Sc3cc(Cl)ccc3N2C)s/c1=C\c1nccs1.CCn1c(=O)/c(=C2\Sc3cc(Cl)ccc3N2C)s/c1=C\c1scc[n+]1C(C)C(=O)c1ccccc1.CCn1c(=O)/c(=C2\Sc3cc(Cl)ccc3N2C)s/c1=C\c1scc[n+]1Cc1cccc(C(F)(F)F)c1.[Cl-].[Cl-].[Cl-]
• InChI: InChI=1S/C26H23ClN3O2S3.C25H20ClF3N3OS3.C20H19N3OS2.C19H20N3OS3.C17H14ClN3OS3.3ClH/c1-4-29-22(15-21-30(12-13-33-21)16(2)23(31)17-8-6-5-7-9-17)35-24(25(29)32)26-28(3)19-11-10-18(27)14-20(19)34-26;1-3-32-21(36-22(23(32)33)24-30(2)18-8-7-17(26)12-19(18)35-24)13-20-31(9-10-34-20)14-15-5-4-6-16(11-15)25(27,28)29;1-4-23-17(12-14-7-9-21-10-8-14)26-18(19(23)24)20-22(3)15-6-5-13(2)11-16(15)25-20;1-5-22-16(11-15-20(3)8-9-24-15)26-17(18(22)23)19-21(4)13-7-6-12(2)10-14(13)25-19;1-3-21-14(9-13-19-6-7-23-13)25-15(16(21)22)17-20(2)11-5-4-10(18)8-12(11)24-17;;;/h5-16H,4H2,1-3H3;4-13H,3,14H2,1-2H3;5-12H,4H2,1-3H3;6-11H,5H2,1-4H3;4-9H,3H2,1-2H3;3*1H/q2*+1;;+1;;;;/p-3/b26-24+;24-22+;17-12-,20-18+;19-17+;14-9-,17-15+
• InChIKey: PNNWTKSYDKQTFU-RRTOAJIGSA-K
• XLogP: 8.87
• TPSA: 180.69 Ų
• H-Bond Acceptors: 32
• Rotatable Bonds: 15
• Heavy Atoms: 151
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2406.69
LogP ≤ 5	8.87
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2Z,5E)-5-(6-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-3-ethyl-2-[[3-(1-oxo-1-phenylpropan-2-yl)-1,3-thiazol-3-ium-2-yl]methylidene]-1,3-thiazolidin-4-one;(2Z,5E)-5-(6-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-3-ethyl-2-(1,3-thiazol-2-ylmethylidene)-1,3-thiazolidin-4-one;(2Z,5E)-5-(6-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-3-ethyl-2-[[3-[[3-(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-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-(pyridin-4-ylmethylidene)-1,3-thiazolidin-4-one;trichloride?

The IUPAC name of (2Z,5E)-5-(6-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-3-ethyl-2-[[3-(1-oxo-1-phenylpropan-2-yl)-1,3-thiazol-3-ium-2-yl]methylidene]-1,3-thiazolidin-4-one;(2Z,5E)-5-(6-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-3-ethyl-2-(1,3-thiazol-2-ylmethylidene)-1,3-thiazolidin-4-one;(2Z,5E)-5-(6-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-3-ethyl-2-[[3-[[3-(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-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-(pyridin-4-ylmethylidene)-1,3-thiazolidin-4-one;trichloride (CID 158839206) is (2Z,5E)-5-(6-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-3-ethyl-2-[[3-(1-oxo-1-phenylpropan-2-yl)-1,3-thiazol-3-ium-2-yl]methylidene]-1,3-thiazolidin-4-one;(2Z,5E)-5-(6-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-3-ethyl-2-(1,3-thiazol-2-ylmethylidene)-1,3-thiazolidin-4-one;(2Z,5E)-5-(6-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-3-ethyl-2-[[3-[[3-(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-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-(pyridin-4-ylmethylidene)-1,3-thiazolidin-4-one;trichloride.

What is the SMILES notation for (2Z,5E)-5-(6-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-3-ethyl-2-[[3-(1-oxo-1-phenylpropan-2-yl)-1,3-thiazol-3-ium-2-yl]methylidene]-1,3-thiazolidin-4-one;(2Z,5E)-5-(6-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-3-ethyl-2-(1,3-thiazol-2-ylmethylidene)-1,3-thiazolidin-4-one;(2Z,5E)-5-(6-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-3-ethyl-2-[[3-[[3-(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-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-(pyridin-4-ylmethylidene)-1,3-thiazolidin-4-one;trichloride?

The canonical SMILES for (2Z,5E)-5-(6-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-3-ethyl-2-[[3-(1-oxo-1-phenylpropan-2-yl)-1,3-thiazol-3-ium-2-yl]methylidene]-1,3-thiazolidin-4-one;(2Z,5E)-5-(6-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-3-ethyl-2-(1,3-thiazol-2-ylmethylidene)-1,3-thiazolidin-4-one;(2Z,5E)-5-(6-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-3-ethyl-2-[[3-[[3-(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-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-(pyridin-4-ylmethylidene)-1,3-thiazolidin-4-one;trichloride is CCn1c(=O)/c(=C2\Sc3cc(C)ccc3N2C)s/c1=C\c1ccncc1.CCn1c(=O)/c(=C2\Sc3cc(C)ccc3N2C)s/c1=C\c1scc[n+]1C.CCn1c(=O)/c(=C2\Sc3cc(Cl)ccc3N2C)s/c1=C\c1nccs1.CCn1c(=O)/c(=C2\Sc3cc(Cl)ccc3N2C)s/c1=C\c1scc[n+]1C(C)C(=O)c1ccccc1.CCn1c(=O)/c(=C2\Sc3cc(Cl)ccc3N2C)s/c1=C\c1scc[n+]1Cc1cccc(C(F)(F)F)c1.[Cl-].[Cl-].[Cl-].

What is the InChIKey of (2Z,5E)-5-(6-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-3-ethyl-2-[[3-(1-oxo-1-phenylpropan-2-yl)-1,3-thiazol-3-ium-2-yl]methylidene]-1,3-thiazolidin-4-one;(2Z,5E)-5-(6-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-3-ethyl-2-(1,3-thiazol-2-ylmethylidene)-1,3-thiazolidin-4-one;(2Z,5E)-5-(6-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-3-ethyl-2-[[3-[[3-(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-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-(pyridin-4-ylmethylidene)-1,3-thiazolidin-4-one;trichloride?

The InChIKey is PNNWTKSYDKQTFU-RRTOAJIGSA-K. The full InChI is InChI=1S/C26H23ClN3O2S3.C25H20ClF3N3OS3.C20H19N3OS2.C19H20N3OS3.C17H14ClN3OS3.3ClH/c1-4-29-22(15-21-30(12-13-33-21)16(2)23(31)17-8-6-5-7-9-17)35-24(25(29)32)26-28(3)19-11-10-18(27)14-20(19)34-26;1-3-32-21(36-22(23(32)33)24-30(2)18-8-7-17(26)12-19(18)35-24)13-20-31(9-10-34-20)14-15-5-4-6-16(11-15)25(27,28)29;1-4-23-17(12-14-7-9-21-10-8-14)26-18(19(23)24)20-22(3)15-6-5-13(2)11-16(15)25-20;1-5-22-16(11-15-20(3)8-9-24-15)26-17(18(22)23)19-21(4)13-7-6-12(2)10-14(13)25-19;1-3-21-14(9-13-19-6-7-23-13)25-15(16(21)22)17-20(2)11-5-4-10(18)8-12(11)24-17;;;/h5-16H,4H2,1-3H3;4-13H,3,14H2,1-2H3;5-12H,4H2,1-3H3;6-11H,5H2,1-4H3;4-9H,3H2,1-2H3;3*1H/q2*+1;;+1;;;;/p-3/b26-24+;24-22+;17-12-,20-18+;19-17+;14-9-,17-15+;;;.

What are the key properties of (2Z,5E)-5-(6-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-3-ethyl-2-[[3-(1-oxo-1-phenylpropan-2-yl)-1,3-thiazol-3-ium-2-yl]methylidene]-1,3-thiazolidin-4-one;(2Z,5E)-5-(6-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-3-ethyl-2-(1,3-thiazol-2-ylmethylidene)-1,3-thiazolidin-4-one;(2Z,5E)-5-(6-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-3-ethyl-2-[[3-[[3-(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-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-(pyridin-4-ylmethylidene)-1,3-thiazolidin-4-one;trichloride?

(2Z,5E)-5-(6-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-3-ethyl-2-[[3-(1-oxo-1-phenylpropan-2-yl)-1,3-thiazol-3-ium-2-yl]methylidene]-1,3-thiazolidin-4-one;(2Z,5E)-5-(6-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-3-ethyl-2-(1,3-thiazol-2-ylmethylidene)-1,3-thiazolidin-4-one;(2Z,5E)-5-(6-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-3-ethyl-2-[[3-[[3-(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-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-(pyridin-4-ylmethylidene)-1,3-thiazolidin-4-one;trichloride has a molecular weight of 2406.69 g/mol, XLogP of 8.87, 15 rotatable bonds, 0 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for (2Z,5E)-5-(6-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-3-ethyl-2-[[3-(1-oxo-1-phenylpropan-2-yl)-1,3-thiazol-3-ium-2-yl]methylidene]-1,3-thiazolidin-4-one;(2Z,5E)-5-(6-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-3-ethyl-2-(1,3-thiazol-2-ylmethylidene)-1,3-thiazolidin-4-one;(2Z,5E)-5-(6-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-3-ethyl-2-[[3-[[3-(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-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-(pyridin-4-ylmethylidene)-1,3-thiazolidin-4-one;trichloride is sourced from PubChem (CID 158839206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).