(2Z,5Z)-2-[2-[(6-chloro-3-methyl-1,3-benzothiazol-3-ium-2-yl)imino]-4-oxo-3-propan-2-yl-1,3-thiazolidin-5-ylidene]-3-ethyl-5-(1-methyl-2-pyridinylidene)-1,3-thiazolidin-4-one;(2Z,5E)-2-[2-[(6-chloro-3-methyl-1,3-benzothiazol-3-ium-2-yl)imino]-4-oxo-3-propan-2-yl-1,3-thiazolidin-5-ylidene]-3-ethyl-5-(3-methyl-1,3-thiazolidin-2-ylidene)-1,3-thiazolidin-4-one;(2Z,5Z)-2-[2-[(6-chloro-3-methyl-1,3-benzothiazol-3-ium-2-yl)imino]-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-ylidene]-3-ethyl-5-(1-methyl-2-pyridinylidene)-1,3-thiazolidin-4-one;(2Z,5E)-2-[2-[(6-chloro-3-methyl-1,3-benzothiazol-3-ium-2-yl)imino]-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-ylidene]-3-ethyl-5-(3-methyl-1,3-thiazolidin-2-ylidene)-1,3-thiazolidin-4-one;(2Z,5E)-3-ethyl-5-(3-methyl-1,3-thiazolidin-2-ylidene)-2-[2-[(3-methyl-1,3-thiazol-3-ium-2-yl)imino]-4-oxo-3-propan-2-yl-1,3-thiazolidin-5-ylidene]-1,3-thiazolidin-4-one;pentachloride

C115H120Cl9N25O10S18 — CID 159196124

IUPAC(2Z,5Z)-2-[2-[(6-chloro-3-methyl-1,3-benzothiazol-3-ium-2-yl)imino]-4-oxo-3-propan-2-yl-1,3-thiazolidin-5-ylidene]-3-ethyl-5-(1-methyl-2-pyridinylidene)-1,3-thiazolidin-4-one;(2Z,5E)-2-[2-[(6-chloro-3-methyl-1,3-benzothiazol-3-ium-2-yl)imino]-4-oxo-3-propan-2-yl-1,3-thiazolidin-5-ylidene]-3-ethyl-5-(3-methyl-1,3-thiazolidin-2-ylidene)-1,3-thiazolidin-4-one;(2Z,5Z)-2-[2-[(6-chloro-3-methyl-1,3-benzothiazol-3-ium-2-yl)imino]-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-ylidene]-3-ethyl-5-(1-methyl-2-pyridinylidene)-1,3-thiazolidin-4-one;(2Z,5E)-2-[2-[(6-chloro-3-methyl-1,3-benzothiazol-3-ium-2-yl)imino]-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-ylidene]-3-ethyl-5-(3-methyl-1,3-thiazolidin-2-ylidene)-1,3-thiazolidin-4-one;(2Z,5E)-3-ethyl-5-(3-methyl-1,3-thiazolidin-2-ylidene)-2-[2-[(3-methyl-1,3-thiazol-3-ium-2-yl)imino]-4-oxo-3-propan-2-yl-1,3-thiazolidin-5-ylidene]-1,3-thiazolidin-4-one;pentachloride
SMILESC=CCN1C(=O)/C(=c2/s/c(=C3/C=CC=CN3C)c(=O)n2CC)SC1=Nc1sc2cc(Cl)ccc2[n+]1C.C=CCN1C(=O)/C(=c2/s/c(=C3/SCCN3C)c(=O)n2CC)SC1=Nc1sc2cc(Cl)ccc2[n+]1C.CCn1c(=O)/c(=C2\C=CC=CN2C)s/c1=C1\SC(=Nc2sc3cc(Cl)ccc3[n+]2C)N(C(C)C)C1=O.CCn1c(=O)/c(=C2\SCCN2C)s/c1=C1\SC(=Nc2sc3cc(Cl)ccc3[n+]2C)N(C(C)C)C1=O.CCn1c(=O)/c(=C2\SCCN2C)s/c1=C1\SC(=Nc2scc[n+]2C)N(C(C)C)C1=O.[Cl-].[Cl-].[Cl-].[Cl-].[Cl-]
InChIInChI=1S/C25H25ClN5O2S3.C25H23ClN5O2S3.C23H25ClN5O2S4.C23H23ClN5O2S4.C19H24N5O2S4.5ClH/c1-6-30-21(32)19(17-9-7-8-12-28(17)4)35-23(30)20-22(33)31(14(2)3)25(36-20)27-24-29(5)16-11-10-15(26)13-18(16)34-24;1-5-12-31-22(33)20(23-30(6-2)21(32)19(35-23)17-9-7-8-13-28(17)3)36-25(31)27-24-29(4)16-11-10-15(26)14-18(16)34-24;1-6-28-18(30)16(20-26(4)9-10-32-20)34-21(28)17-19(31)29(12(2)3)23(35-17)25-22-27(5)14-8-7-13(24)11-15(14)33-22;1-5-9-29-19(31)17(21-28(6-2)18(30)16(34-21)20-26(3)10-11-32-20)35-23(29)25-22-27(4)14-8-7-13(24)12-15(14)33-22;1-6-23-14(25)12(16-21(4)7-9-27-16)29-17(23)13-15(26)24(11(2)3)19(30-13)20-18-22(5)8-10-28-18;;;;;/h7-14H,6H2,1-5H3;5,7-11,13-14H,1,6,12H2,2-4H3;7-8,11-12H,6,9-10H2,1-5H3;5,7-8,12H,1,6,9-11H2,2-4H3;8,10-11H,6-7,9H2,1-5H3;5*1H/q5*+1;;;;;/p-5/b2*19-17-,23-20-;2*20-16+,21-17-;16-12+,17-13-;;;;;
InChIKeyUQPWLQFGUBXURV-PXWVSMIISA-I
MW2908.67 g/mol
LogP-0.74
Rot. Bonds17

About (2Z,5Z)-2-[2-[(6-chloro-3-methyl-1,3-benzothiazol-3-ium-2-yl)imino]-4-oxo-3-propan-2-yl-1,3-thiazolidin-5-ylidene]-3-ethyl-5-(1-methyl-2-pyridinylidene)-1,3-thiazolidin-4-one;(2Z,5E)-2-[2-[(6-chloro-3-methyl-1,3-benzothiazol-3-ium-2-yl)imino]-4-oxo-3-propan-2-yl-1,3-thiazolidin-5-ylidene]-3-ethyl-5-(3-methyl-1,3-thiazolidin-2-ylidene)-1,3-thiazolidin-4-one;(2Z,5Z)-2-[2-[(6-chloro-3-methyl-1,3-benzothiazol-3-ium-2-yl)imino]-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-ylidene]-3-ethyl-5-(1-methyl-2-pyridinylidene)-1,3-thiazolidin-4-one;(2Z,5E)-2-[2-[(6-chloro-3-methyl-1,3-benzothiazol-3-ium-2-yl)imino]-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-ylidene]-3-ethyl-5-(3-methyl-1,3-thiazolidin-2-ylidene)-1,3-thiazolidin-4-one;(2Z,5E)-3-ethyl-5-(3-methyl-1,3-thiazolidin-2-ylidene)-2-[2-[(3-methyl-1,3-thiazol-3-ium-2-yl)imino]-4-oxo-3-propan-2-yl-1,3-thiazolidin-5-ylidene]-1,3-thiazolidin-4-one;pentachloride

(2Z,5Z)-2-[2-[(6-chloro-3-methyl-1,3-benzothiazol-3-ium-2-yl)imino]-4-oxo-3-propan-2-yl-1,3-thiazolidin-5-ylidene]-3-ethyl-5-(1-methyl-2-pyridinylidene)-1,3-thiazolidin-4-one;(2Z,5E)-2-[2-[(6-chloro-3-methyl-1,3-benzothiazol-3-ium-2-yl)imino]-4-oxo-3-propan-2-yl-1,3-thiazolidin-5-ylidene]-3-ethyl-5-(3-methyl-1,3-thiazolidin-2-ylidene)-1,3-thiazolidin-4-one;(2Z,5Z)-2-[2-[(6-chloro-3-methyl-1,3-benzothiazol-3-ium-2-yl)imino]-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-ylidene]-3-ethyl-5-(1-methyl-2-pyridinylidene)-1,3-thiazolidin-4-one;(2Z,5E)-2-[2-[(6-chloro-3-methyl-1,3-benzothiazol-3-ium-2-yl)imino]-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-ylidene]-3-ethyl-5-(3-methyl-1,3-thiazolidin-2-ylidene)-1,3-thiazolidin-4-one;(2Z,5E)-3-ethyl-5-(3-methyl-1,3-thiazolidin-2-ylidene)-2-[2-[(3-methyl-1,3-thiazol-3-ium-2-yl)imino]-4-oxo-3-propan-2-yl-1,3-thiazolidin-5-ylidene]-1,3-thiazolidin-4-one;pentachloride (PubChem CID 159196124) has the molecular formula C115H120Cl9N25O10S18 and a molecular weight of 2908.67 g/mol. Its IUPAC name is (2Z,5Z)-2-[2-[(6-chloro-3-methyl-1,3-benzothiazol-3-ium-2-yl)imino]-4-oxo-3-propan-2-yl-1,3-thiazolidin-5-ylidene]-3-ethyl-5-(1-methyl-2-pyridinylidene)-1,3-thiazolidin-4-one;(2Z,5E)-2-[2-[(6-chloro-3-methyl-1,3-benzothiazol-3-ium-2-yl)imino]-4-oxo-3-propan-2-yl-1,3-thiazolidin-5-ylidene]-3-ethyl-5-(3-methyl-1,3-thiazolidin-2-ylidene)-1,3-thiazolidin-4-one;(2Z,5Z)-2-[2-[(6-chloro-3-methyl-1,3-benzothiazol-3-ium-2-yl)imino]-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-ylidene]-3-ethyl-5-(1-methyl-2-pyridinylidene)-1,3-thiazolidin-4-one;(2Z,5E)-2-[2-[(6-chloro-3-methyl-1,3-benzothiazol-3-ium-2-yl)imino]-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-ylidene]-3-ethyl-5-(3-methyl-1,3-thiazolidin-2-ylidene)-1,3-thiazolidin-4-one;(2Z,5E)-3-ethyl-5-(3-methyl-1,3-thiazolidin-2-ylidene)-2-[2-[(3-methyl-1,3-thiazol-3-ium-2-yl)imino]-4-oxo-3-propan-2-yl-1,3-thiazolidin-5-ylidene]-1,3-thiazolidin-4-one;pentachloride.

Molecular Properties

Compound Name(2Z,5Z)-2-[2-[(6-chloro-3-methyl-1,3-benzothiazol-3-ium-2-yl)imino]-4-oxo-3-propan-2-yl-1,3-thiazolidin-5-ylidene]-3-ethyl-5-(1-methyl-2-pyridinylidene)-1,3-thiazolidin-4-one;(2Z,5E)-2-[2-[(6-chloro-3-methyl-1,3-benzothiazol-3-ium-2-yl)imino]-4-oxo-3-propan-2-yl-1,3-thiazolidin-5-ylidene]-3-ethyl-5-(3-methyl-1,3-thiazolidin-2-ylidene)-1,3-thiazolidin-4-one;(2Z,5Z)-2-[2-[(6-chloro-3-methyl-1,3-benzothiazol-3-ium-2-yl)imino]-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-ylidene]-3-ethyl-5-(1-methyl-2-pyridinylidene)-1,3-thiazolidin-4-one;(2Z,5E)-2-[2-[(6-chloro-3-methyl-1,3-benzothiazol-3-ium-2-yl)imino]-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-ylidene]-3-ethyl-5-(3-methyl-1,3-thiazolidin-2-ylidene)-1,3-thiazolidin-4-one;(2Z,5E)-3-ethyl-5-(3-methyl-1,3-thiazolidin-2-ylidene)-2-[2-[(3-methyl-1,3-thiazol-3-ium-2-yl)imino]-4-oxo-3-propan-2-yl-1,3-thiazolidin-5-ylidene]-1,3-thiazolidin-4-one;pentachloride
PubChem CID159196124
Molecular FormulaC115H120Cl9N25O10S18
Molecular Weight2908.67 g/mol
Exact Mass2901.18
IUPAC Name(2Z,5Z)-2-[2-[(6-chloro-3-methyl-1,3-benzothiazol-3-ium-2-yl)imino]-4-oxo-3-propan-2-yl-1,3-thiazolidin-5-ylidene]-3-ethyl-5-(1-methyl-2-pyridinylidene)-1,3-thiazolidin-4-one;(2Z,5E)-2-[2-[(6-chloro-3-methyl-1,3-benzothiazol-3-ium-2-yl)imino]-4-oxo-3-propan-2-yl-1,3-thiazolidin-5-ylidene]-3-ethyl-5-(3-methyl-1,3-thiazolidin-2-ylidene)-1,3-thiazolidin-4-one;(2Z,5Z)-2-[2-[(6-chloro-3-methyl-1,3-benzothiazol-3-ium-2-yl)imino]-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-ylidene]-3-ethyl-5-(1-methyl-2-pyridinylidene)-1,3-thiazolidin-4-one;(2Z,5E)-2-[2-[(6-chloro-3-methyl-1,3-benzothiazol-3-ium-2-yl)imino]-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-ylidene]-3-ethyl-5-(3-methyl-1,3-thiazolidin-2-ylidene)-1,3-thiazolidin-4-one;(2Z,5E)-3-ethyl-5-(3-methyl-1,3-thiazolidin-2-ylidene)-2-[2-[(3-methyl-1,3-thiazol-3-ium-2-yl)imino]-4-oxo-3-propan-2-yl-1,3-thiazolidin-5-ylidene]-1,3-thiazolidin-4-one;pentachloride
SMILESC=CCN1C(=O)/C(=c2/s/c(=C3/C=CC=CN3C)c(=O)n2CC)SC1=Nc1sc2cc(Cl)ccc2[n+]1C.C=CCN1C(=O)/C(=c2/s/c(=C3/SCCN3C)c(=O)n2CC)SC1=Nc1sc2cc(Cl)ccc2[n+]1C.CCn1c(=O)/c(=C2\C=CC=CN2C)s/c1=C1\SC(=Nc2sc3cc(Cl)ccc3[n+]2C)N(C(C)C)C1=O.CCn1c(=O)/c(=C2\SCCN2C)s/c1=C1\SC(=Nc2sc3cc(Cl)ccc3[n+]2C)N(C(C)C)C1=O.CCn1c(=O)/c(=C2\SCCN2C)s/c1=C1\SC(=Nc2scc[n+]2C)N(C(C)C)C1=O.[Cl-].[Cl-].[Cl-].[Cl-].[Cl-]
InChIInChI=1S/C25H25ClN5O2S3.C25H23ClN5O2S3.C23H25ClN5O2S4.C23H23ClN5O2S4.C19H24N5O2S4.5ClH/c1-6-30-21(32)19(17-9-7-8-12-28(17)4)35-23(30)20-22(33)31(14(2)3)25(36-20)27-24-29(5)16-11-10-15(26)13-18(16)34-24;1-5-12-31-22(33)20(23-30(6-2)21(32)19(35-23)17-9-7-8-13-28(17)3)36-25(31)27-24-29(4)16-11-10-15(26)14-18(16)34-24;1-6-28-18(30)16(20-26(4)9-10-32-20)34-21(28)17-19(31)29(12(2)3)23(35-17)25-22-27(5)14-8-7-13(24)11-15(14)33-22;1-5-9-29-19(31)17(21-28(6-2)18(30)16(34-21)20-26(3)10-11-32-20)35-23(29)25-22-27(4)14-8-7-13(24)12-15(14)33-22;1-6-23-14(25)12(16-21(4)7-9-27-16)29-17(23)13-15(26)24(11(2)3)19(30-13)20-18-22(5)8-10-28-18;;;;;/h7-14H,6H2,1-5H3;5,7-11,13-14H,1,6,12H2,2-4H3;7-8,11-12H,6,9-10H2,1-5H3;5,7-8,12H,1,6,9-11H2,2-4H3;8,10-11H,6-7,9H2,1-5H3;5*1H/q5*+1;;;;;/p-5/b2*19-17-,23-20-;2*20-16+,21-17-;16-12+,17-13-;;;;;
InChIKeyUQPWLQFGUBXURV-PXWVSMIISA-I
XLogP-0.74
TPSA308.95 Ų
H-Bond Donors
H-Bond Acceptors43
Rotatable Bonds17
Heavy Atoms177
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002908.67
LogP ≤ 5-0.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1043

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze (2Z,5Z)-2-[2-[(6-chloro-3-methyl-1,3-benzothiazol-3-ium-2-yl)imino]-4-oxo-3-propan-2-yl-1,3-thiazolidin-5-ylidene]-3-ethyl-5-(1-methyl-2-pyridinylidene)-1,3-thiazolidin-4-one;(2Z,5E)-2-[2-[(6-chloro-3-methyl-1,3-benzothiazol-3-ium-2-yl)imino]-4-oxo-3-propan-2-yl-1,3-thiazolidin-5-ylidene]-3-ethyl-5-(3-methyl-1,3-thiazolidin-2-ylidene)-1,3-thiazolidin-4-one;(2Z,5Z)-2-[2-[(6-chloro-3-methyl-1,3-benzothiazol-3-ium-2-yl)imino]-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-ylidene]-3-ethyl-5-(1-methyl-2-pyridinylidene)-1,3-thiazolidin-4-one;(2Z,5E)-2-[2-[(6-chloro-3-methyl-1,3-benzothiazol-3-ium-2-yl)imino]-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-ylidene]-3-ethyl-5-(3-methyl-1,3-thiazolidin-2-ylidene)-1,3-thiazolidin-4-one;(2Z,5E)-3-ethyl-5-(3-methyl-1,3-thiazolidin-2-ylidene)-2-[2-[(3-methyl-1,3-thiazol-3-ium-2-yl)imino]-4-oxo-3-propan-2-yl-1,3-thiazolidin-5-ylidene]-1,3-thiazolidin-4-one;pentachloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2Z,5Z)-2-[2-[(6-chloro-3-methyl-1,3-benzothiazol-3-ium-2-yl)imino]-4-oxo-3-propan-2-yl-1,3-thiazolidin-5-ylidene]-3-ethyl-5-(1-methyl-2-pyridinylidene)-1,3-thiazolidin-4-one;(2Z,5E)-2-[2-[(6-chloro-3-methyl-1,3-benzothiazol-3-ium-2-yl)imino]-4-oxo-3-propan-2-yl-1,3-thiazolidin-5-ylidene]-3-ethyl-5-(3-methyl-1,3-thiazolidin-2-ylidene)-1,3-thiazolidin-4-one;(2Z,5Z)-2-[2-[(6-chloro-3-methyl-1,3-benzothiazol-3-ium-2-yl)imino]-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-ylidene]-3-ethyl-5-(1-methyl-2-pyridinylidene)-1,3-thiazolidin-4-one;(2Z,5E)-2-[2-[(6-chloro-3-methyl-1,3-benzothiazol-3-ium-2-yl)imino]-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-ylidene]-3-ethyl-5-(3-methyl-1,3-thiazolidin-2-ylidene)-1,3-thiazolidin-4-one;(2Z,5E)-3-ethyl-5-(3-methyl-1,3-thiazolidin-2-ylidene)-2-[2-[(3-methyl-1,3-thiazol-3-ium-2-yl)imino]-4-oxo-3-propan-2-yl-1,3-thiazolidin-5-ylidene]-1,3-thiazolidin-4-one;pentachloride?
The IUPAC name of (2Z,5Z)-2-[2-[(6-chloro-3-methyl-1,3-benzothiazol-3-ium-2-yl)imino]-4-oxo-3-propan-2-yl-1,3-thiazolidin-5-ylidene]-3-ethyl-5-(1-methyl-2-pyridinylidene)-1,3-thiazolidin-4-one;(2Z,5E)-2-[2-[(6-chloro-3-methyl-1,3-benzothiazol-3-ium-2-yl)imino]-4-oxo-3-propan-2-yl-1,3-thiazolidin-5-ylidene]-3-ethyl-5-(3-methyl-1,3-thiazolidin-2-ylidene)-1,3-thiazolidin-4-one;(2Z,5Z)-2-[2-[(6-chloro-3-methyl-1,3-benzothiazol-3-ium-2-yl)imino]-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-ylidene]-3-ethyl-5-(1-methyl-2-pyridinylidene)-1,3-thiazolidin-4-one;(2Z,5E)-2-[2-[(6-chloro-3-methyl-1,3-benzothiazol-3-ium-2-yl)imino]-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-ylidene]-3-ethyl-5-(3-methyl-1,3-thiazolidin-2-ylidene)-1,3-thiazolidin-4-one;(2Z,5E)-3-ethyl-5-(3-methyl-1,3-thiazolidin-2-ylidene)-2-[2-[(3-methyl-1,3-thiazol-3-ium-2-yl)imino]-4-oxo-3-propan-2-yl-1,3-thiazolidin-5-ylidene]-1,3-thiazolidin-4-one;pentachloride (CID 159196124) is (2Z,5Z)-2-[2-[(6-chloro-3-methyl-1,3-benzothiazol-3-ium-2-yl)imino]-4-oxo-3-propan-2-yl-1,3-thiazolidin-5-ylidene]-3-ethyl-5-(1-methyl-2-pyridinylidene)-1,3-thiazolidin-4-one;(2Z,5E)-2-[2-[(6-chloro-3-methyl-1,3-benzothiazol-3-ium-2-yl)imino]-4-oxo-3-propan-2-yl-1,3-thiazolidin-5-ylidene]-3-ethyl-5-(3-methyl-1,3-thiazolidin-2-ylidene)-1,3-thiazolidin-4-one;(2Z,5Z)-2-[2-[(6-chloro-3-methyl-1,3-benzothiazol-3-ium-2-yl)imino]-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-ylidene]-3-ethyl-5-(1-methyl-2-pyridinylidene)-1,3-thiazolidin-4-one;(2Z,5E)-2-[2-[(6-chloro-3-methyl-1,3-benzothiazol-3-ium-2-yl)imino]-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-ylidene]-3-ethyl-5-(3-methyl-1,3-thiazolidin-2-ylidene)-1,3-thiazolidin-4-one;(2Z,5E)-3-ethyl-5-(3-methyl-1,3-thiazolidin-2-ylidene)-2-[2-[(3-methyl-1,3-thiazol-3-ium-2-yl)imino]-4-oxo-3-propan-2-yl-1,3-thiazolidin-5-ylidene]-1,3-thiazolidin-4-one;pentachloride.
What is the SMILES notation for (2Z,5Z)-2-[2-[(6-chloro-3-methyl-1,3-benzothiazol-3-ium-2-yl)imino]-4-oxo-3-propan-2-yl-1,3-thiazolidin-5-ylidene]-3-ethyl-5-(1-methyl-2-pyridinylidene)-1,3-thiazolidin-4-one;(2Z,5E)-2-[2-[(6-chloro-3-methyl-1,3-benzothiazol-3-ium-2-yl)imino]-4-oxo-3-propan-2-yl-1,3-thiazolidin-5-ylidene]-3-ethyl-5-(3-methyl-1,3-thiazolidin-2-ylidene)-1,3-thiazolidin-4-one;(2Z,5Z)-2-[2-[(6-chloro-3-methyl-1,3-benzothiazol-3-ium-2-yl)imino]-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-ylidene]-3-ethyl-5-(1-methyl-2-pyridinylidene)-1,3-thiazolidin-4-one;(2Z,5E)-2-[2-[(6-chloro-3-methyl-1,3-benzothiazol-3-ium-2-yl)imino]-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-ylidene]-3-ethyl-5-(3-methyl-1,3-thiazolidin-2-ylidene)-1,3-thiazolidin-4-one;(2Z,5E)-3-ethyl-5-(3-methyl-1,3-thiazolidin-2-ylidene)-2-[2-[(3-methyl-1,3-thiazol-3-ium-2-yl)imino]-4-oxo-3-propan-2-yl-1,3-thiazolidin-5-ylidene]-1,3-thiazolidin-4-one;pentachloride?
The canonical SMILES for (2Z,5Z)-2-[2-[(6-chloro-3-methyl-1,3-benzothiazol-3-ium-2-yl)imino]-4-oxo-3-propan-2-yl-1,3-thiazolidin-5-ylidene]-3-ethyl-5-(1-methyl-2-pyridinylidene)-1,3-thiazolidin-4-one;(2Z,5E)-2-[2-[(6-chloro-3-methyl-1,3-benzothiazol-3-ium-2-yl)imino]-4-oxo-3-propan-2-yl-1,3-thiazolidin-5-ylidene]-3-ethyl-5-(3-methyl-1,3-thiazolidin-2-ylidene)-1,3-thiazolidin-4-one;(2Z,5Z)-2-[2-[(6-chloro-3-methyl-1,3-benzothiazol-3-ium-2-yl)imino]-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-ylidene]-3-ethyl-5-(1-methyl-2-pyridinylidene)-1,3-thiazolidin-4-one;(2Z,5E)-2-[2-[(6-chloro-3-methyl-1,3-benzothiazol-3-ium-2-yl)imino]-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-ylidene]-3-ethyl-5-(3-methyl-1,3-thiazolidin-2-ylidene)-1,3-thiazolidin-4-one;(2Z,5E)-3-ethyl-5-(3-methyl-1,3-thiazolidin-2-ylidene)-2-[2-[(3-methyl-1,3-thiazol-3-ium-2-yl)imino]-4-oxo-3-propan-2-yl-1,3-thiazolidin-5-ylidene]-1,3-thiazolidin-4-one;pentachloride is C=CCN1C(=O)/C(=c2/s/c(=C3/C=CC=CN3C)c(=O)n2CC)SC1=Nc1sc2cc(Cl)ccc2[n+]1C.C=CCN1C(=O)/C(=c2/s/c(=C3/SCCN3C)c(=O)n2CC)SC1=Nc1sc2cc(Cl)ccc2[n+]1C.CCn1c(=O)/c(=C2\C=CC=CN2C)s/c1=C1\SC(=Nc2sc3cc(Cl)ccc3[n+]2C)N(C(C)C)C1=O.CCn1c(=O)/c(=C2\SCCN2C)s/c1=C1\SC(=Nc2sc3cc(Cl)ccc3[n+]2C)N(C(C)C)C1=O.CCn1c(=O)/c(=C2\SCCN2C)s/c1=C1\SC(=Nc2scc[n+]2C)N(C(C)C)C1=O.[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].
What is the InChIKey of (2Z,5Z)-2-[2-[(6-chloro-3-methyl-1,3-benzothiazol-3-ium-2-yl)imino]-4-oxo-3-propan-2-yl-1,3-thiazolidin-5-ylidene]-3-ethyl-5-(1-methyl-2-pyridinylidene)-1,3-thiazolidin-4-one;(2Z,5E)-2-[2-[(6-chloro-3-methyl-1,3-benzothiazol-3-ium-2-yl)imino]-4-oxo-3-propan-2-yl-1,3-thiazolidin-5-ylidene]-3-ethyl-5-(3-methyl-1,3-thiazolidin-2-ylidene)-1,3-thiazolidin-4-one;(2Z,5Z)-2-[2-[(6-chloro-3-methyl-1,3-benzothiazol-3-ium-2-yl)imino]-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-ylidene]-3-ethyl-5-(1-methyl-2-pyridinylidene)-1,3-thiazolidin-4-one;(2Z,5E)-2-[2-[(6-chloro-3-methyl-1,3-benzothiazol-3-ium-2-yl)imino]-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-ylidene]-3-ethyl-5-(3-methyl-1,3-thiazolidin-2-ylidene)-1,3-thiazolidin-4-one;(2Z,5E)-3-ethyl-5-(3-methyl-1,3-thiazolidin-2-ylidene)-2-[2-[(3-methyl-1,3-thiazol-3-ium-2-yl)imino]-4-oxo-3-propan-2-yl-1,3-thiazolidin-5-ylidene]-1,3-thiazolidin-4-one;pentachloride?
The InChIKey is UQPWLQFGUBXURV-PXWVSMIISA-I. The full InChI is InChI=1S/C25H25ClN5O2S3.C25H23ClN5O2S3.C23H25ClN5O2S4.C23H23ClN5O2S4.C19H24N5O2S4.5ClH/c1-6-30-21(32)19(17-9-7-8-12-28(17)4)35-23(30)20-22(33)31(14(2)3)25(36-20)27-24-29(5)16-11-10-15(26)13-18(16)34-24;1-5-12-31-22(33)20(23-30(6-2)21(32)19(35-23)17-9-7-8-13-28(17)3)36-25(31)27-24-29(4)16-11-10-15(26)14-18(16)34-24;1-6-28-18(30)16(20-26(4)9-10-32-20)34-21(28)17-19(31)29(12(2)3)23(35-17)25-22-27(5)14-8-7-13(24)11-15(14)33-22;1-5-9-29-19(31)17(21-28(6-2)18(30)16(34-21)20-26(3)10-11-32-20)35-23(29)25-22-27(4)14-8-7-13(24)12-15(14)33-22;1-6-23-14(25)12(16-21(4)7-9-27-16)29-17(23)13-15(26)24(11(2)3)19(30-13)20-18-22(5)8-10-28-18;;;;;/h7-14H,6H2,1-5H3;5,7-11,13-14H,1,6,12H2,2-4H3;7-8,11-12H,6,9-10H2,1-5H3;5,7-8,12H,1,6,9-11H2,2-4H3;8,10-11H,6-7,9H2,1-5H3;5*1H/q5*+1;;;;;/p-5/b2*19-17-,23-20-;2*20-16+,21-17-;16-12+,17-13-;;;;;.
What are the key properties of (2Z,5Z)-2-[2-[(6-chloro-3-methyl-1,3-benzothiazol-3-ium-2-yl)imino]-4-oxo-3-propan-2-yl-1,3-thiazolidin-5-ylidene]-3-ethyl-5-(1-methyl-2-pyridinylidene)-1,3-thiazolidin-4-one;(2Z,5E)-2-[2-[(6-chloro-3-methyl-1,3-benzothiazol-3-ium-2-yl)imino]-4-oxo-3-propan-2-yl-1,3-thiazolidin-5-ylidene]-3-ethyl-5-(3-methyl-1,3-thiazolidin-2-ylidene)-1,3-thiazolidin-4-one;(2Z,5Z)-2-[2-[(6-chloro-3-methyl-1,3-benzothiazol-3-ium-2-yl)imino]-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-ylidene]-3-ethyl-5-(1-methyl-2-pyridinylidene)-1,3-thiazolidin-4-one;(2Z,5E)-2-[2-[(6-chloro-3-methyl-1,3-benzothiazol-3-ium-2-yl)imino]-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-ylidene]-3-ethyl-5-(3-methyl-1,3-thiazolidin-2-ylidene)-1,3-thiazolidin-4-one;(2Z,5E)-3-ethyl-5-(3-methyl-1,3-thiazolidin-2-ylidene)-2-[2-[(3-methyl-1,3-thiazol-3-ium-2-yl)imino]-4-oxo-3-propan-2-yl-1,3-thiazolidin-5-ylidene]-1,3-thiazolidin-4-one;pentachloride?
(2Z,5Z)-2-[2-[(6-chloro-3-methyl-1,3-benzothiazol-3-ium-2-yl)imino]-4-oxo-3-propan-2-yl-1,3-thiazolidin-5-ylidene]-3-ethyl-5-(1-methyl-2-pyridinylidene)-1,3-thiazolidin-4-one;(2Z,5E)-2-[2-[(6-chloro-3-methyl-1,3-benzothiazol-3-ium-2-yl)imino]-4-oxo-3-propan-2-yl-1,3-thiazolidin-5-ylidene]-3-ethyl-5-(3-methyl-1,3-thiazolidin-2-ylidene)-1,3-thiazolidin-4-one;(2Z,5Z)-2-[2-[(6-chloro-3-methyl-1,3-benzothiazol-3-ium-2-yl)imino]-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-ylidene]-3-ethyl-5-(1-methyl-2-pyridinylidene)-1,3-thiazolidin-4-one;(2Z,5E)-2-[2-[(6-chloro-3-methyl-1,3-benzothiazol-3-ium-2-yl)imino]-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-ylidene]-3-ethyl-5-(3-methyl-1,3-thiazolidin-2-ylidene)-1,3-thiazolidin-4-one;(2Z,5E)-3-ethyl-5-(3-methyl-1,3-thiazolidin-2-ylidene)-2-[2-[(3-methyl-1,3-thiazol-3-ium-2-yl)imino]-4-oxo-3-propan-2-yl-1,3-thiazolidin-5-ylidene]-1,3-thiazolidin-4-one;pentachloride has a molecular weight of 2908.67 g/mol, XLogP of -0.74, 17 rotatable bonds, 0 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,5Z)-2-[2-[(6-chloro-3-methyl-1,3-benzothiazol-3-ium-2-yl)imino]-4-oxo-3-propan-2-yl-1,3-thiazolidin-5-ylidene]-3-ethyl-5-(1-methyl-2-pyridinylidene)-1,3-thiazolidin-4-one;(2Z,5E)-2-[2-[(6-chloro-3-methyl-1,3-benzothiazol-3-ium-2-yl)imino]-4-oxo-3-propan-2-yl-1,3-thiazolidin-5-ylidene]-3-ethyl-5-(3-methyl-1,3-thiazolidin-2-ylidene)-1,3-thiazolidin-4-one;(2Z,5Z)-2-[2-[(6-chloro-3-methyl-1,3-benzothiazol-3-ium-2-yl)imino]-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-ylidene]-3-ethyl-5-(1-methyl-2-pyridinylidene)-1,3-thiazolidin-4-one;(2Z,5E)-2-[2-[(6-chloro-3-methyl-1,3-benzothiazol-3-ium-2-yl)imino]-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-ylidene]-3-ethyl-5-(3-methyl-1,3-thiazolidin-2-ylidene)-1,3-thiazolidin-4-one;(2Z,5E)-3-ethyl-5-(3-methyl-1,3-thiazolidin-2-ylidene)-2-[2-[(3-methyl-1,3-thiazol-3-ium-2-yl)imino]-4-oxo-3-propan-2-yl-1,3-thiazolidin-5-ylidene]-1,3-thiazolidin-4-one;pentachloride is sourced from PubChem (CID 159196124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).