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

C107H92Cl4F3N15O11S14 — CID 161103697

IUPAC(2Z,5E)-5-(6,7-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)-3-ethyl-2-(1,3-thiazol-2-ylmethylidene)-1,3-thiazolidin-4-one;(2Z,5E)-5-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)-3-ethyl-2-(1,3-thiazol-2-ylmethylidene)-1,3-thiazolidin-4-one;methyl 2-[(2Z,5E)-2-[(3-benzyl-1,3-thiazol-3-ium-2-yl)methylidene]-5-(6-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-4-oxo-1,3-thiazolidin-3-yl]acetate;methyl 3-[(2Z,5E)-2-[(3-benzyl-1,3-thiazol-3-ium-2-yl)methylidene]-5-(6-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-4-oxo-1,3-thiazolidin-3-yl]propanoate;methyl 3-[(2Z,5E)-5-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-4-oxo-2-(pyridin-2-ylmethylidene)-1,3-thiazolidin-3-yl]propanoate;dichloride
SMILESCCn1c(=O)/c(=C2\Sc3c(ccc(F)c3F)N2C)s/c1=C\c1nccs1.CCn1c(=O)/c(=C2\Sc3cc(C)ccc3N2C)s/c1=C\c1nccs1.COC(=O)CCn1c(=O)/c(=C2\Sc3cc(Cl)ccc3N2C)s/c1=C\c1scc[n+]1Cc1ccccc1.COC(=O)CCn1c(=O)/c(=C2\Sc3cc(F)ccc3N2C)s/c1=C\c1ccccn1.COC(=O)Cn1c(=O)/c(=C2\Sc3cc(Cl)ccc3N2C)s/c1=C\c1scc[n+]1Cc1ccccc1.[Cl-].[Cl-]
InChIInChI=1S/C26H23ClN3O3S3.C25H21ClN3O3S3.C21H18FN3O3S2.C18H17N3OS3.C17H13F2N3OS3.2ClH/c1-28-19-9-8-18(27)14-20(19)35-26(28)24-25(32)30(11-10-23(31)33-2)22(36-24)15-21-29(12-13-34-21)16-17-6-4-3-5-7-17;1-27-18-9-8-17(26)12-19(18)34-25(27)23-24(31)29(15-22(30)32-2)21(35-23)13-20-28(10-11-33-20)14-16-6-4-3-5-7-16;1-24-15-7-6-13(22)11-16(15)29-21(24)19-20(27)25(10-8-18(26)28-2)17(30-19)12-14-5-3-4-9-23-14;1-4-21-15(10-14-19-7-8-23-14)25-16(17(21)22)18-20(3)12-6-5-11(2)9-13(12)24-18;1-3-22-12(8-11-20-6-7-24-11)25-15(16(22)23)17-21(2)10-5-4-9(18)13(19)14(10)26-17;;/h3-9,12-15H,10-11,16H2,1-2H3;3-13H,14-15H2,1-2H3;3-7,9,11-12H,8,10H2,1-2H3;5-10H,4H2,1-3H3;4-8H,3H2,1-2H3;2*1H/q2*+1;;;;;/p-2/b26-24+;25-23+;17-12-,21-19+;15-10-,18-16+;12-8-,17-15+;;
InChIKeySPKPUFFQEXCGCZ-GCSYNTRWSA-L
MW2411.75 g/mol
LogP8.71
Rot. Bonds19

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

(2Z,5E)-5-(6,7-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)-3-ethyl-2-(1,3-thiazol-2-ylmethylidene)-1,3-thiazolidin-4-one;(2Z,5E)-5-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)-3-ethyl-2-(1,3-thiazol-2-ylmethylidene)-1,3-thiazolidin-4-one;methyl 2-[(2Z,5E)-2-[(3-benzyl-1,3-thiazol-3-ium-2-yl)methylidene]-5-(6-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-4-oxo-1,3-thiazolidin-3-yl]acetate;methyl 3-[(2Z,5E)-2-[(3-benzyl-1,3-thiazol-3-ium-2-yl)methylidene]-5-(6-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-4-oxo-1,3-thiazolidin-3-yl]propanoate;methyl 3-[(2Z,5E)-5-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-4-oxo-2-(pyridin-2-ylmethylidene)-1,3-thiazolidin-3-yl]propanoate;dichloride (PubChem CID 161103697) has the molecular formula C107H92Cl4F3N15O11S14 and a molecular weight of 2411.75 g/mol. Its IUPAC name is (2Z,5E)-5-(6,7-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)-3-ethyl-2-(1,3-thiazol-2-ylmethylidene)-1,3-thiazolidin-4-one;(2Z,5E)-5-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)-3-ethyl-2-(1,3-thiazol-2-ylmethylidene)-1,3-thiazolidin-4-one;methyl 2-[(2Z,5E)-2-[(3-benzyl-1,3-thiazol-3-ium-2-yl)methylidene]-5-(6-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-4-oxo-1,3-thiazolidin-3-yl]acetate;methyl 3-[(2Z,5E)-2-[(3-benzyl-1,3-thiazol-3-ium-2-yl)methylidene]-5-(6-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-4-oxo-1,3-thiazolidin-3-yl]propanoate;methyl 3-[(2Z,5E)-5-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-4-oxo-2-(pyridin-2-ylmethylidene)-1,3-thiazolidin-3-yl]propanoate;dichloride.

Molecular Properties

Compound Name(2Z,5E)-5-(6,7-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)-3-ethyl-2-(1,3-thiazol-2-ylmethylidene)-1,3-thiazolidin-4-one;(2Z,5E)-5-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)-3-ethyl-2-(1,3-thiazol-2-ylmethylidene)-1,3-thiazolidin-4-one;methyl 2-[(2Z,5E)-2-[(3-benzyl-1,3-thiazol-3-ium-2-yl)methylidene]-5-(6-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-4-oxo-1,3-thiazolidin-3-yl]acetate;methyl 3-[(2Z,5E)-2-[(3-benzyl-1,3-thiazol-3-ium-2-yl)methylidene]-5-(6-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-4-oxo-1,3-thiazolidin-3-yl]propanoate;methyl 3-[(2Z,5E)-5-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-4-oxo-2-(pyridin-2-ylmethylidene)-1,3-thiazolidin-3-yl]propanoate;dichloride
PubChem CID161103697
Molecular FormulaC107H92Cl4F3N15O11S14
Molecular Weight2411.75 g/mol
Exact Mass2407.19
IUPAC Name(2Z,5E)-5-(6,7-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)-3-ethyl-2-(1,3-thiazol-2-ylmethylidene)-1,3-thiazolidin-4-one;(2Z,5E)-5-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)-3-ethyl-2-(1,3-thiazol-2-ylmethylidene)-1,3-thiazolidin-4-one;methyl 2-[(2Z,5E)-2-[(3-benzyl-1,3-thiazol-3-ium-2-yl)methylidene]-5-(6-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-4-oxo-1,3-thiazolidin-3-yl]acetate;methyl 3-[(2Z,5E)-2-[(3-benzyl-1,3-thiazol-3-ium-2-yl)methylidene]-5-(6-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-4-oxo-1,3-thiazolidin-3-yl]propanoate;methyl 3-[(2Z,5E)-5-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-4-oxo-2-(pyridin-2-ylmethylidene)-1,3-thiazolidin-3-yl]propanoate;dichloride
SMILESCCn1c(=O)/c(=C2\Sc3c(ccc(F)c3F)N2C)s/c1=C\c1nccs1.CCn1c(=O)/c(=C2\Sc3cc(C)ccc3N2C)s/c1=C\c1nccs1.COC(=O)CCn1c(=O)/c(=C2\Sc3cc(Cl)ccc3N2C)s/c1=C\c1scc[n+]1Cc1ccccc1.COC(=O)CCn1c(=O)/c(=C2\Sc3cc(F)ccc3N2C)s/c1=C\c1ccccn1.COC(=O)Cn1c(=O)/c(=C2\Sc3cc(Cl)ccc3N2C)s/c1=C\c1scc[n+]1Cc1ccccc1.[Cl-].[Cl-]
InChIInChI=1S/C26H23ClN3O3S3.C25H21ClN3O3S3.C21H18FN3O3S2.C18H17N3OS3.C17H13F2N3OS3.2ClH/c1-28-19-9-8-18(27)14-20(19)35-26(28)24-25(32)30(11-10-23(31)33-2)22(36-24)15-21-29(12-13-34-21)16-17-6-4-3-5-7-17;1-27-18-9-8-17(26)12-19(18)34-25(27)23-24(31)29(15-22(30)32-2)21(35-23)13-20-28(10-11-33-20)14-16-6-4-3-5-7-16;1-24-15-7-6-13(22)11-16(15)29-21(24)19-20(27)25(10-8-18(26)28-2)17(30-19)12-14-5-3-4-9-23-14;1-4-21-15(10-14-19-7-8-23-14)25-16(17(21)22)18-20(3)12-6-5-11(2)9-13(12)24-18;1-3-22-12(8-11-20-6-7-24-11)25-15(16(22)23)17-21(2)10-5-4-9(18)13(19)14(10)26-17;;/h3-9,12-15H,10-11,16H2,1-2H3;3-13H,14-15H2,1-2H3;3-7,9,11-12H,8,10H2,1-2H3;5-10H,4H2,1-3H3;4-8H,3H2,1-2H3;2*1H/q2*+1;;;;;/p-2/b26-24+;25-23+;17-12-,21-19+;15-10-,18-16+;12-8-,17-15+;;
InChIKeySPKPUFFQEXCGCZ-GCSYNTRWSA-L
XLogP8.71
TPSA251.53 Ų
H-Bond Donors
H-Bond Acceptors38
Rotatable Bonds19
Heavy Atoms154
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002411.75
LogP ≤ 58.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1038

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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

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Frequently Asked Questions

What is the IUPAC name of (2Z,5E)-5-(6,7-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)-3-ethyl-2-(1,3-thiazol-2-ylmethylidene)-1,3-thiazolidin-4-one;(2Z,5E)-5-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)-3-ethyl-2-(1,3-thiazol-2-ylmethylidene)-1,3-thiazolidin-4-one;methyl 2-[(2Z,5E)-2-[(3-benzyl-1,3-thiazol-3-ium-2-yl)methylidene]-5-(6-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-4-oxo-1,3-thiazolidin-3-yl]acetate;methyl 3-[(2Z,5E)-2-[(3-benzyl-1,3-thiazol-3-ium-2-yl)methylidene]-5-(6-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-4-oxo-1,3-thiazolidin-3-yl]propanoate;methyl 3-[(2Z,5E)-5-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-4-oxo-2-(pyridin-2-ylmethylidene)-1,3-thiazolidin-3-yl]propanoate;dichloride?
The IUPAC name of (2Z,5E)-5-(6,7-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)-3-ethyl-2-(1,3-thiazol-2-ylmethylidene)-1,3-thiazolidin-4-one;(2Z,5E)-5-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)-3-ethyl-2-(1,3-thiazol-2-ylmethylidene)-1,3-thiazolidin-4-one;methyl 2-[(2Z,5E)-2-[(3-benzyl-1,3-thiazol-3-ium-2-yl)methylidene]-5-(6-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-4-oxo-1,3-thiazolidin-3-yl]acetate;methyl 3-[(2Z,5E)-2-[(3-benzyl-1,3-thiazol-3-ium-2-yl)methylidene]-5-(6-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-4-oxo-1,3-thiazolidin-3-yl]propanoate;methyl 3-[(2Z,5E)-5-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-4-oxo-2-(pyridin-2-ylmethylidene)-1,3-thiazolidin-3-yl]propanoate;dichloride (CID 161103697) is (2Z,5E)-5-(6,7-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)-3-ethyl-2-(1,3-thiazol-2-ylmethylidene)-1,3-thiazolidin-4-one;(2Z,5E)-5-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)-3-ethyl-2-(1,3-thiazol-2-ylmethylidene)-1,3-thiazolidin-4-one;methyl 2-[(2Z,5E)-2-[(3-benzyl-1,3-thiazol-3-ium-2-yl)methylidene]-5-(6-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-4-oxo-1,3-thiazolidin-3-yl]acetate;methyl 3-[(2Z,5E)-2-[(3-benzyl-1,3-thiazol-3-ium-2-yl)methylidene]-5-(6-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-4-oxo-1,3-thiazolidin-3-yl]propanoate;methyl 3-[(2Z,5E)-5-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-4-oxo-2-(pyridin-2-ylmethylidene)-1,3-thiazolidin-3-yl]propanoate;dichloride.
What is the SMILES notation for (2Z,5E)-5-(6,7-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)-3-ethyl-2-(1,3-thiazol-2-ylmethylidene)-1,3-thiazolidin-4-one;(2Z,5E)-5-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)-3-ethyl-2-(1,3-thiazol-2-ylmethylidene)-1,3-thiazolidin-4-one;methyl 2-[(2Z,5E)-2-[(3-benzyl-1,3-thiazol-3-ium-2-yl)methylidene]-5-(6-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-4-oxo-1,3-thiazolidin-3-yl]acetate;methyl 3-[(2Z,5E)-2-[(3-benzyl-1,3-thiazol-3-ium-2-yl)methylidene]-5-(6-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-4-oxo-1,3-thiazolidin-3-yl]propanoate;methyl 3-[(2Z,5E)-5-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-4-oxo-2-(pyridin-2-ylmethylidene)-1,3-thiazolidin-3-yl]propanoate;dichloride?
The canonical SMILES for (2Z,5E)-5-(6,7-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)-3-ethyl-2-(1,3-thiazol-2-ylmethylidene)-1,3-thiazolidin-4-one;(2Z,5E)-5-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)-3-ethyl-2-(1,3-thiazol-2-ylmethylidene)-1,3-thiazolidin-4-one;methyl 2-[(2Z,5E)-2-[(3-benzyl-1,3-thiazol-3-ium-2-yl)methylidene]-5-(6-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-4-oxo-1,3-thiazolidin-3-yl]acetate;methyl 3-[(2Z,5E)-2-[(3-benzyl-1,3-thiazol-3-ium-2-yl)methylidene]-5-(6-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-4-oxo-1,3-thiazolidin-3-yl]propanoate;methyl 3-[(2Z,5E)-5-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-4-oxo-2-(pyridin-2-ylmethylidene)-1,3-thiazolidin-3-yl]propanoate;dichloride is CCn1c(=O)/c(=C2\Sc3c(ccc(F)c3F)N2C)s/c1=C\c1nccs1.CCn1c(=O)/c(=C2\Sc3cc(C)ccc3N2C)s/c1=C\c1nccs1.COC(=O)CCn1c(=O)/c(=C2\Sc3cc(Cl)ccc3N2C)s/c1=C\c1scc[n+]1Cc1ccccc1.COC(=O)CCn1c(=O)/c(=C2\Sc3cc(F)ccc3N2C)s/c1=C\c1ccccn1.COC(=O)Cn1c(=O)/c(=C2\Sc3cc(Cl)ccc3N2C)s/c1=C\c1scc[n+]1Cc1ccccc1.[Cl-].[Cl-].
What is the InChIKey of (2Z,5E)-5-(6,7-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)-3-ethyl-2-(1,3-thiazol-2-ylmethylidene)-1,3-thiazolidin-4-one;(2Z,5E)-5-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)-3-ethyl-2-(1,3-thiazol-2-ylmethylidene)-1,3-thiazolidin-4-one;methyl 2-[(2Z,5E)-2-[(3-benzyl-1,3-thiazol-3-ium-2-yl)methylidene]-5-(6-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-4-oxo-1,3-thiazolidin-3-yl]acetate;methyl 3-[(2Z,5E)-2-[(3-benzyl-1,3-thiazol-3-ium-2-yl)methylidene]-5-(6-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-4-oxo-1,3-thiazolidin-3-yl]propanoate;methyl 3-[(2Z,5E)-5-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-4-oxo-2-(pyridin-2-ylmethylidene)-1,3-thiazolidin-3-yl]propanoate;dichloride?
The InChIKey is SPKPUFFQEXCGCZ-GCSYNTRWSA-L. The full InChI is InChI=1S/C26H23ClN3O3S3.C25H21ClN3O3S3.C21H18FN3O3S2.C18H17N3OS3.C17H13F2N3OS3.2ClH/c1-28-19-9-8-18(27)14-20(19)35-26(28)24-25(32)30(11-10-23(31)33-2)22(36-24)15-21-29(12-13-34-21)16-17-6-4-3-5-7-17;1-27-18-9-8-17(26)12-19(18)34-25(27)23-24(31)29(15-22(30)32-2)21(35-23)13-20-28(10-11-33-20)14-16-6-4-3-5-7-16;1-24-15-7-6-13(22)11-16(15)29-21(24)19-20(27)25(10-8-18(26)28-2)17(30-19)12-14-5-3-4-9-23-14;1-4-21-15(10-14-19-7-8-23-14)25-16(17(21)22)18-20(3)12-6-5-11(2)9-13(12)24-18;1-3-22-12(8-11-20-6-7-24-11)25-15(16(22)23)17-21(2)10-5-4-9(18)13(19)14(10)26-17;;/h3-9,12-15H,10-11,16H2,1-2H3;3-13H,14-15H2,1-2H3;3-7,9,11-12H,8,10H2,1-2H3;5-10H,4H2,1-3H3;4-8H,3H2,1-2H3;2*1H/q2*+1;;;;;/p-2/b26-24+;25-23+;17-12-,21-19+;15-10-,18-16+;12-8-,17-15+;;.
What are the key properties of (2Z,5E)-5-(6,7-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)-3-ethyl-2-(1,3-thiazol-2-ylmethylidene)-1,3-thiazolidin-4-one;(2Z,5E)-5-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)-3-ethyl-2-(1,3-thiazol-2-ylmethylidene)-1,3-thiazolidin-4-one;methyl 2-[(2Z,5E)-2-[(3-benzyl-1,3-thiazol-3-ium-2-yl)methylidene]-5-(6-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-4-oxo-1,3-thiazolidin-3-yl]acetate;methyl 3-[(2Z,5E)-2-[(3-benzyl-1,3-thiazol-3-ium-2-yl)methylidene]-5-(6-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-4-oxo-1,3-thiazolidin-3-yl]propanoate;methyl 3-[(2Z,5E)-5-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-4-oxo-2-(pyridin-2-ylmethylidene)-1,3-thiazolidin-3-yl]propanoate;dichloride?
(2Z,5E)-5-(6,7-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)-3-ethyl-2-(1,3-thiazol-2-ylmethylidene)-1,3-thiazolidin-4-one;(2Z,5E)-5-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)-3-ethyl-2-(1,3-thiazol-2-ylmethylidene)-1,3-thiazolidin-4-one;methyl 2-[(2Z,5E)-2-[(3-benzyl-1,3-thiazol-3-ium-2-yl)methylidene]-5-(6-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-4-oxo-1,3-thiazolidin-3-yl]acetate;methyl 3-[(2Z,5E)-2-[(3-benzyl-1,3-thiazol-3-ium-2-yl)methylidene]-5-(6-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-4-oxo-1,3-thiazolidin-3-yl]propanoate;methyl 3-[(2Z,5E)-5-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-4-oxo-2-(pyridin-2-ylmethylidene)-1,3-thiazolidin-3-yl]propanoate;dichloride has a molecular weight of 2411.75 g/mol, XLogP of 8.71, 19 rotatable bonds, 0 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,5E)-5-(6,7-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)-3-ethyl-2-(1,3-thiazol-2-ylmethylidene)-1,3-thiazolidin-4-one;(2Z,5E)-5-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)-3-ethyl-2-(1,3-thiazol-2-ylmethylidene)-1,3-thiazolidin-4-one;methyl 2-[(2Z,5E)-2-[(3-benzyl-1,3-thiazol-3-ium-2-yl)methylidene]-5-(6-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-4-oxo-1,3-thiazolidin-3-yl]acetate;methyl 3-[(2Z,5E)-2-[(3-benzyl-1,3-thiazol-3-ium-2-yl)methylidene]-5-(6-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-4-oxo-1,3-thiazolidin-3-yl]propanoate;methyl 3-[(2Z,5E)-5-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-4-oxo-2-(pyridin-2-ylmethylidene)-1,3-thiazolidin-3-yl]propanoate;dichloride is sourced from PubChem (CID 161103697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).