(2Z,5Z)-3-ethyl-2-[(5-fluoro-3-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-5-[(2Z)-2-(5-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)ethylidene]-1,3-thiazolidin-4-one;tris((2Z,5Z)-3-ethyl-2-[(5-fluoro-3-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-5-[(2Z)-2-(3-methyl-1,3-benzothiazol-2-ylidene)ethylidene]-1,3-thiazolidin-4-one);(2Z,5Z)-3-ethyl-5-[(2Z)-2-(5-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)ethylidene]-2-[(3-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-1,3-thiazolidin-4-one;(2Z,5Z)-2-[(5-fluoro-3-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-3-(methoxymethyl)-5-[(2Z)-2-(3-methyl-1,3-benzothiazol-2-ylidene)ethylidene]-1,3-thiazolidin-4-one;2-[(2Z,5Z)-2-[(5-fluoro-3-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-5-[(2Z)-2-(3-methyl-1,3-benzothiazol-2-ylidene)ethylidene]-4-oxo-1,3-thiazolidin-3-yl]acetic acid;(E)-3-formyloxyprop-2-enoate;methanesulfonate;4-methylbenzenesulfonic acid;tetrachloride

C180H158Cl4F8N21O20S23+ — CID 160555542

IUPAC(2Z,5Z)-3-ethyl-2-[(5-fluoro-3-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-5-[(2Z)-2-(5-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)ethylidene]-1,3-thiazolidin-4-one;tris((2Z,5Z)-3-ethyl-2-[(5-fluoro-3-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-5-[(2Z)-2-(3-methyl-1,3-benzothiazol-2-ylidene)ethylidene]-1,3-thiazolidin-4-one);(2Z,5Z)-3-ethyl-5-[(2Z)-2-(5-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)ethylidene]-2-[(3-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-1,3-thiazolidin-4-one;(2Z,5Z)-2-[(5-fluoro-3-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-3-(methoxymethyl)-5-[(2Z)-2-(3-methyl-1,3-benzothiazol-2-ylidene)ethylidene]-1,3-thiazolidin-4-one;2-[(2Z,5Z)-2-[(5-fluoro-3-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-5-[(2Z)-2-(3-methyl-1,3-benzothiazol-2-ylidene)ethylidene]-4-oxo-1,3-thiazolidin-3-yl]acetic acid;(E)-3-formyloxyprop-2-enoate;methanesulfonate;4-methylbenzenesulfonic acid;tetrachloride
SMILESCCn1c(=O)/c(=C/C=C2\Sc3ccc(F)cc3N2C)s/c1=C\c1sc2ccc(F)cc2[n+]1C.CCn1c(=O)/c(=C/C=C2\Sc3ccc(F)cc3N2C)s/c1=C\c1sc2ccccc2[n+]1C.CCn1c(=O)/c(=C/C=C2\Sc3ccccc3N2C)s/c1=C\c1sc2ccc(F)cc2[n+]1C.CCn1c(=O)/c(=C/C=C2\Sc3ccccc3N2C)s/c1=C\c1sc2ccc(F)cc2[n+]1C.CCn1c(=O)/c(=C/C=C2\Sc3ccccc3N2C)s/c1=C\c1sc2ccc(F)cc2[n+]1C.CN1/C(=C/C=c2\s/c(=C\c3sc4ccc(F)cc4[n+]3C)n(CC(=O)O)c2=O)Sc2ccccc21.COCn1c(=O)/c(=C/C=C2\Sc3ccccc3N2C)s/c1=C\c1sc2ccc(F)cc2[n+]1C.CS(=O)(=O)[O-].Cc1ccc(S(=O)(=O)O)cc1.O=CO/C=C/C(=O)[O-].[Cl-].[Cl-].[Cl-].[Cl-]
InChIInChI=1S/C24H20F2N3OS3.C24H18FN3O3S3.C24H21FN3O2S3.4C24H21FN3OS3.C7H8O3S.C4H4O4.CH4O3S.4ClH/c1-4-29-23(13-22-28(3)17-12-15(26)6-8-19(17)32-22)33-20(24(29)30)9-10-21-27(2)16-11-14(25)5-7-18(16)31-21;1-26-15-5-3-4-6-17(15)32-20(26)10-9-19-24(31)28(13-23(29)30)22(34-19)12-21-27(2)16-11-14(25)7-8-18(16)33-21;1-26-16-6-4-5-7-18(16)31-21(26)11-10-20-24(29)28(14-30-3)23(33-20)13-22-27(2)17-12-15(25)8-9-19(17)32-22;1-4-28-23(14-22-26(2)16-7-5-6-8-18(16)31-22)32-20(24(28)29)11-12-21-27(3)17-13-15(25)9-10-19(17)30-21;3*1-4-28-23(14-22-27(3)17-13-15(25)9-10-19(17)31-22)32-20(24(28)29)11-12-21-26(2)16-7-5-6-8-18(16)30-21;1-6-2-4-7(5-3-6)11(8,9)10;5-3-8-2-1-4(6)7;1-5(2,3)4;;;;/h5-13H,4H2,1-3H3;3-12H,13H2,1-2H3;4-13H,14H2,1-3H3;4*5-14H,4H2,1-3H3;2-5H,1H3,(H,8,9,10);1-3H,(H,6,7);1H3,(H,2,3,4);4*1H/q+1;;5*+1;;;;;;;/p-5/b20-9-,21-10-;19-9-,20-10-;20-10-,21-11-;4*20-11-,21-12-;;2-1+;;;;;
InChIKeyWXOJNLIWQFNWDQ-GRFWQTKWSA-I
MW3966.71 g/mol
LogP12.24
Rot. Bonds27

About (2Z,5Z)-3-ethyl-2-[(5-fluoro-3-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-5-[(2Z)-2-(5-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)ethylidene]-1,3-thiazolidin-4-one;tris((2Z,5Z)-3-ethyl-2-[(5-fluoro-3-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-5-[(2Z)-2-(3-methyl-1,3-benzothiazol-2-ylidene)ethylidene]-1,3-thiazolidin-4-one);(2Z,5Z)-3-ethyl-5-[(2Z)-2-(5-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)ethylidene]-2-[(3-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-1,3-thiazolidin-4-one;(2Z,5Z)-2-[(5-fluoro-3-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-3-(methoxymethyl)-5-[(2Z)-2-(3-methyl-1,3-benzothiazol-2-ylidene)ethylidene]-1,3-thiazolidin-4-one;2-[(2Z,5Z)-2-[(5-fluoro-3-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-5-[(2Z)-2-(3-methyl-1,3-benzothiazol-2-ylidene)ethylidene]-4-oxo-1,3-thiazolidin-3-yl]acetic acid;(E)-3-formyloxyprop-2-enoate;methanesulfonate;4-methylbenzenesulfonic acid;tetrachloride

(2Z,5Z)-3-ethyl-2-[(5-fluoro-3-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-5-[(2Z)-2-(5-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)ethylidene]-1,3-thiazolidin-4-one;tris((2Z,5Z)-3-ethyl-2-[(5-fluoro-3-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-5-[(2Z)-2-(3-methyl-1,3-benzothiazol-2-ylidene)ethylidene]-1,3-thiazolidin-4-one);(2Z,5Z)-3-ethyl-5-[(2Z)-2-(5-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)ethylidene]-2-[(3-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-1,3-thiazolidin-4-one;(2Z,5Z)-2-[(5-fluoro-3-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-3-(methoxymethyl)-5-[(2Z)-2-(3-methyl-1,3-benzothiazol-2-ylidene)ethylidene]-1,3-thiazolidin-4-one;2-[(2Z,5Z)-2-[(5-fluoro-3-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-5-[(2Z)-2-(3-methyl-1,3-benzothiazol-2-ylidene)ethylidene]-4-oxo-1,3-thiazolidin-3-yl]acetic acid;(E)-3-formyloxyprop-2-enoate;methanesulfonate;4-methylbenzenesulfonic acid;tetrachloride (PubChem CID 160555542) has the molecular formula C180H158Cl4F8N21O20S23+ and a molecular weight of 3966.71 g/mol. Its IUPAC name is (2Z,5Z)-3-ethyl-2-[(5-fluoro-3-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-5-[(2Z)-2-(5-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)ethylidene]-1,3-thiazolidin-4-one;tris((2Z,5Z)-3-ethyl-2-[(5-fluoro-3-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-5-[(2Z)-2-(3-methyl-1,3-benzothiazol-2-ylidene)ethylidene]-1,3-thiazolidin-4-one);(2Z,5Z)-3-ethyl-5-[(2Z)-2-(5-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)ethylidene]-2-[(3-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-1,3-thiazolidin-4-one;(2Z,5Z)-2-[(5-fluoro-3-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-3-(methoxymethyl)-5-[(2Z)-2-(3-methyl-1,3-benzothiazol-2-ylidene)ethylidene]-1,3-thiazolidin-4-one;2-[(2Z,5Z)-2-[(5-fluoro-3-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-5-[(2Z)-2-(3-methyl-1,3-benzothiazol-2-ylidene)ethylidene]-4-oxo-1,3-thiazolidin-3-yl]acetic acid;(E)-3-formyloxyprop-2-enoate;methanesulfonate;4-methylbenzenesulfonic acid;tetrachloride.

Molecular Properties

Compound Name(2Z,5Z)-3-ethyl-2-[(5-fluoro-3-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-5-[(2Z)-2-(5-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)ethylidene]-1,3-thiazolidin-4-one;tris((2Z,5Z)-3-ethyl-2-[(5-fluoro-3-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-5-[(2Z)-2-(3-methyl-1,3-benzothiazol-2-ylidene)ethylidene]-1,3-thiazolidin-4-one);(2Z,5Z)-3-ethyl-5-[(2Z)-2-(5-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)ethylidene]-2-[(3-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-1,3-thiazolidin-4-one;(2Z,5Z)-2-[(5-fluoro-3-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-3-(methoxymethyl)-5-[(2Z)-2-(3-methyl-1,3-benzothiazol-2-ylidene)ethylidene]-1,3-thiazolidin-4-one;2-[(2Z,5Z)-2-[(5-fluoro-3-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-5-[(2Z)-2-(3-methyl-1,3-benzothiazol-2-ylidene)ethylidene]-4-oxo-1,3-thiazolidin-3-yl]acetic acid;(E)-3-formyloxyprop-2-enoate;methanesulfonate;4-methylbenzenesulfonic acid;tetrachloride
PubChem CID160555542
Molecular FormulaC180H158Cl4F8N21O20S23+
Molecular Weight3966.71 g/mol
Exact Mass3960.42
IUPAC Name(2Z,5Z)-3-ethyl-2-[(5-fluoro-3-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-5-[(2Z)-2-(5-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)ethylidene]-1,3-thiazolidin-4-one;tris((2Z,5Z)-3-ethyl-2-[(5-fluoro-3-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-5-[(2Z)-2-(3-methyl-1,3-benzothiazol-2-ylidene)ethylidene]-1,3-thiazolidin-4-one);(2Z,5Z)-3-ethyl-5-[(2Z)-2-(5-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)ethylidene]-2-[(3-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-1,3-thiazolidin-4-one;(2Z,5Z)-2-[(5-fluoro-3-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-3-(methoxymethyl)-5-[(2Z)-2-(3-methyl-1,3-benzothiazol-2-ylidene)ethylidene]-1,3-thiazolidin-4-one;2-[(2Z,5Z)-2-[(5-fluoro-3-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-5-[(2Z)-2-(3-methyl-1,3-benzothiazol-2-ylidene)ethylidene]-4-oxo-1,3-thiazolidin-3-yl]acetic acid;(E)-3-formyloxyprop-2-enoate;methanesulfonate;4-methylbenzenesulfonic acid;tetrachloride
SMILESCCn1c(=O)/c(=C/C=C2\Sc3ccc(F)cc3N2C)s/c1=C\c1sc2ccc(F)cc2[n+]1C.CCn1c(=O)/c(=C/C=C2\Sc3ccc(F)cc3N2C)s/c1=C\c1sc2ccccc2[n+]1C.CCn1c(=O)/c(=C/C=C2\Sc3ccccc3N2C)s/c1=C\c1sc2ccc(F)cc2[n+]1C.CCn1c(=O)/c(=C/C=C2\Sc3ccccc3N2C)s/c1=C\c1sc2ccc(F)cc2[n+]1C.CCn1c(=O)/c(=C/C=C2\Sc3ccccc3N2C)s/c1=C\c1sc2ccc(F)cc2[n+]1C.CN1/C(=C/C=c2\s/c(=C\c3sc4ccc(F)cc4[n+]3C)n(CC(=O)O)c2=O)Sc2ccccc21.COCn1c(=O)/c(=C/C=C2\Sc3ccccc3N2C)s/c1=C\c1sc2ccc(F)cc2[n+]1C.CS(=O)(=O)[O-].Cc1ccc(S(=O)(=O)O)cc1.O=CO/C=C/C(=O)[O-].[Cl-].[Cl-].[Cl-].[Cl-]
InChIInChI=1S/C24H20F2N3OS3.C24H18FN3O3S3.C24H21FN3O2S3.4C24H21FN3OS3.C7H8O3S.C4H4O4.CH4O3S.4ClH/c1-4-29-23(13-22-28(3)17-12-15(26)6-8-19(17)32-22)33-20(24(29)30)9-10-21-27(2)16-11-14(25)5-7-18(16)31-21;1-26-15-5-3-4-6-17(15)32-20(26)10-9-19-24(31)28(13-23(29)30)22(34-19)12-21-27(2)16-11-14(25)7-8-18(16)33-21;1-26-16-6-4-5-7-18(16)31-21(26)11-10-20-24(29)28(14-30-3)23(33-20)13-22-27(2)17-12-15(25)8-9-19(17)32-22;1-4-28-23(14-22-26(2)16-7-5-6-8-18(16)31-22)32-20(24(28)29)11-12-21-27(3)17-13-15(25)9-10-19(17)30-21;3*1-4-28-23(14-22-27(3)17-13-15(25)9-10-19(17)31-22)32-20(24(28)29)11-12-21-26(2)16-7-5-6-8-18(16)30-21;1-6-2-4-7(5-3-6)11(8,9)10;5-3-8-2-1-4(6)7;1-5(2,3)4;;;;/h5-13H,4H2,1-3H3;3-12H,13H2,1-2H3;4-13H,14H2,1-3H3;4*5-14H,4H2,1-3H3;2-5H,1H3,(H,8,9,10);1-3H,(H,6,7);1H3,(H,2,3,4);4*1H/q+1;;5*+1;;;;;;;/p-5/b20-9-,21-10-;19-9-,20-10-;20-10-,21-11-;4*20-11-,21-12-;;2-1+;;;;;
InChIKeyWXOJNLIWQFNWDQ-GRFWQTKWSA-I
XLogP12.24
TPSA428.37 Ų
H-Bond Donors2
H-Bond Acceptors53
Rotatable Bonds27
Heavy Atoms256
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003966.71
LogP ≤ 512.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1053

Analyze (2Z,5Z)-3-ethyl-2-[(5-fluoro-3-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-5-[(2Z)-2-(5-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)ethylidene]-1,3-thiazolidin-4-one;tris((2Z,5Z)-3-ethyl-2-[(5-fluoro-3-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-5-[(2Z)-2-(3-methyl-1,3-benzothiazol-2-ylidene)ethylidene]-1,3-thiazolidin-4-one);(2Z,5Z)-3-ethyl-5-[(2Z)-2-(5-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)ethylidene]-2-[(3-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-1,3-thiazolidin-4-one;(2Z,5Z)-2-[(5-fluoro-3-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-3-(methoxymethyl)-5-[(2Z)-2-(3-methyl-1,3-benzothiazol-2-ylidene)ethylidene]-1,3-thiazolidin-4-one;2-[(2Z,5Z)-2-[(5-fluoro-3-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-5-[(2Z)-2-(3-methyl-1,3-benzothiazol-2-ylidene)ethylidene]-4-oxo-1,3-thiazolidin-3-yl]acetic acid;(E)-3-formyloxyprop-2-enoate;methanesulfonate;4-methylbenzenesulfonic acid;tetrachloride with MolForge

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Related Compounds

but-2-enedioate;bis(3-ethyl-2-[(5-fluoro-3-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-5-[2-(3-methyl-1,3-benzothiazol-2-ylidene)ethylidene]-1,3-thiazolidin-4-one)
CID 173465278
3-ethyl-5-(5-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)-2-[(3-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-1,3-thiazolidin-4-one;4-methylbenzenesulfonate
CID 85155753
(2E,5E)-3-ethyl-5-[(2Z)-2-(3-ethyl-4-methyl-1,3-thiazol-2-ylidene)ethylidene]-2-[(3-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-1,3-thiazolidin-4-one iodide
CID 159634739
5-(5-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-3-ethyl-2-[(3-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-1,3-thiazolidin-4-one;4-methylbenzenesulfonate
CID 85124475
(2Z,5Z)-3-ethyl-5-[(2Z)-2-(3-methyl-1,3-benzothiazol-2-ylidene)ethylidene]-2-[(1-methylpyridin-1-ium-2-yl)methylidene]-1,3-thiazolidin-4-one
CID 11577831
(2Z)-5-fluoro-3-methyl-2-[(E)-3-(3-methyl-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzothiazole
CID 90666967
(5E)-3-ethyl-5-[3-ethyl-5-(3-methyl-1,3-benzothiazol-2-ylidene)-4-oxo-1,3-thiazolidin-2-ylidene]-2-[(3-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-1,3-thiazolidin-4-one
CID 90836821
(2E,5E)-3-ethyl-2-[(3-ethyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-5-[(2Z)-2-(3-ethyl-4-methyl-1,3-thiazol-2-ylidene)ethylidene]-1,3-thiazolidin-4-one chloride
CID 135469636
4-[2-[2-[2-[[5,6-dichloro-3-(4-sulfobutyl)-1,3-benzothiazol-3-ium-2-yl]methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-5-ylidene]ethylidene]-1,3-benzothiazol-3-yl]butane-1-sulfonic acid
CID 54393316
4-methylbenzenesulfonate;(2Z,5Z)-2-[(3-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-5-(3-methyl-1,3-benzothiazol-2-ylidene)-3-(oxolan-2-ylmethyl)-1,3-thiazolidin-4-one
CID 135593957
(2E,5E)-3-ethyl-2-[(3-ethyl-4,5-diphenyl-1,3-thiazol-3-ium-2-yl)methylidene]-5-[(2Z)-2-(3-ethyl-5-methyl-1,3-benzothiazol-2-ylidene)ethylidene]-1,3-thiazolidin-4-one
CID 135995462
(2E,5Z)-3-ethyl-2-[(1-ethylbenzo[e][1,3]benzothiazol-1-ium-2-yl)methylidene]-5-[(2Z)-2-(3-methyl-1,3-thiazolidin-2-ylidene)ethylidene]-1,3-thiazolidin-4-one;4-methylbenzenesulfonate
CID 135731799

Frequently Asked Questions

What is the IUPAC name of (2Z,5Z)-3-ethyl-2-[(5-fluoro-3-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-5-[(2Z)-2-(5-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)ethylidene]-1,3-thiazolidin-4-one;tris((2Z,5Z)-3-ethyl-2-[(5-fluoro-3-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-5-[(2Z)-2-(3-methyl-1,3-benzothiazol-2-ylidene)ethylidene]-1,3-thiazolidin-4-one);(2Z,5Z)-3-ethyl-5-[(2Z)-2-(5-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)ethylidene]-2-[(3-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-1,3-thiazolidin-4-one;(2Z,5Z)-2-[(5-fluoro-3-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-3-(methoxymethyl)-5-[(2Z)-2-(3-methyl-1,3-benzothiazol-2-ylidene)ethylidene]-1,3-thiazolidin-4-one;2-[(2Z,5Z)-2-[(5-fluoro-3-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-5-[(2Z)-2-(3-methyl-1,3-benzothiazol-2-ylidene)ethylidene]-4-oxo-1,3-thiazolidin-3-yl]acetic acid;(E)-3-formyloxyprop-2-enoate;methanesulfonate;4-methylbenzenesulfonic acid;tetrachloride?
The IUPAC name of (2Z,5Z)-3-ethyl-2-[(5-fluoro-3-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-5-[(2Z)-2-(5-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)ethylidene]-1,3-thiazolidin-4-one;tris((2Z,5Z)-3-ethyl-2-[(5-fluoro-3-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-5-[(2Z)-2-(3-methyl-1,3-benzothiazol-2-ylidene)ethylidene]-1,3-thiazolidin-4-one);(2Z,5Z)-3-ethyl-5-[(2Z)-2-(5-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)ethylidene]-2-[(3-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-1,3-thiazolidin-4-one;(2Z,5Z)-2-[(5-fluoro-3-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-3-(methoxymethyl)-5-[(2Z)-2-(3-methyl-1,3-benzothiazol-2-ylidene)ethylidene]-1,3-thiazolidin-4-one;2-[(2Z,5Z)-2-[(5-fluoro-3-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-5-[(2Z)-2-(3-methyl-1,3-benzothiazol-2-ylidene)ethylidene]-4-oxo-1,3-thiazolidin-3-yl]acetic acid;(E)-3-formyloxyprop-2-enoate;methanesulfonate;4-methylbenzenesulfonic acid;tetrachloride (CID 160555542) is (2Z,5Z)-3-ethyl-2-[(5-fluoro-3-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-5-[(2Z)-2-(5-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)ethylidene]-1,3-thiazolidin-4-one;tris((2Z,5Z)-3-ethyl-2-[(5-fluoro-3-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-5-[(2Z)-2-(3-methyl-1,3-benzothiazol-2-ylidene)ethylidene]-1,3-thiazolidin-4-one);(2Z,5Z)-3-ethyl-5-[(2Z)-2-(5-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)ethylidene]-2-[(3-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-1,3-thiazolidin-4-one;(2Z,5Z)-2-[(5-fluoro-3-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-3-(methoxymethyl)-5-[(2Z)-2-(3-methyl-1,3-benzothiazol-2-ylidene)ethylidene]-1,3-thiazolidin-4-one;2-[(2Z,5Z)-2-[(5-fluoro-3-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-5-[(2Z)-2-(3-methyl-1,3-benzothiazol-2-ylidene)ethylidene]-4-oxo-1,3-thiazolidin-3-yl]acetic acid;(E)-3-formyloxyprop-2-enoate;methanesulfonate;4-methylbenzenesulfonic acid;tetrachloride.
What is the SMILES notation for (2Z,5Z)-3-ethyl-2-[(5-fluoro-3-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-5-[(2Z)-2-(5-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)ethylidene]-1,3-thiazolidin-4-one;tris((2Z,5Z)-3-ethyl-2-[(5-fluoro-3-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-5-[(2Z)-2-(3-methyl-1,3-benzothiazol-2-ylidene)ethylidene]-1,3-thiazolidin-4-one);(2Z,5Z)-3-ethyl-5-[(2Z)-2-(5-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)ethylidene]-2-[(3-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-1,3-thiazolidin-4-one;(2Z,5Z)-2-[(5-fluoro-3-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-3-(methoxymethyl)-5-[(2Z)-2-(3-methyl-1,3-benzothiazol-2-ylidene)ethylidene]-1,3-thiazolidin-4-one;2-[(2Z,5Z)-2-[(5-fluoro-3-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-5-[(2Z)-2-(3-methyl-1,3-benzothiazol-2-ylidene)ethylidene]-4-oxo-1,3-thiazolidin-3-yl]acetic acid;(E)-3-formyloxyprop-2-enoate;methanesulfonate;4-methylbenzenesulfonic acid;tetrachloride?
The canonical SMILES for (2Z,5Z)-3-ethyl-2-[(5-fluoro-3-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-5-[(2Z)-2-(5-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)ethylidene]-1,3-thiazolidin-4-one;tris((2Z,5Z)-3-ethyl-2-[(5-fluoro-3-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-5-[(2Z)-2-(3-methyl-1,3-benzothiazol-2-ylidene)ethylidene]-1,3-thiazolidin-4-one);(2Z,5Z)-3-ethyl-5-[(2Z)-2-(5-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)ethylidene]-2-[(3-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-1,3-thiazolidin-4-one;(2Z,5Z)-2-[(5-fluoro-3-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-3-(methoxymethyl)-5-[(2Z)-2-(3-methyl-1,3-benzothiazol-2-ylidene)ethylidene]-1,3-thiazolidin-4-one;2-[(2Z,5Z)-2-[(5-fluoro-3-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-5-[(2Z)-2-(3-methyl-1,3-benzothiazol-2-ylidene)ethylidene]-4-oxo-1,3-thiazolidin-3-yl]acetic acid;(E)-3-formyloxyprop-2-enoate;methanesulfonate;4-methylbenzenesulfonic acid;tetrachloride is CCn1c(=O)/c(=C/C=C2\Sc3ccc(F)cc3N2C)s/c1=C\c1sc2ccc(F)cc2[n+]1C.CCn1c(=O)/c(=C/C=C2\Sc3ccc(F)cc3N2C)s/c1=C\c1sc2ccccc2[n+]1C.CCn1c(=O)/c(=C/C=C2\Sc3ccccc3N2C)s/c1=C\c1sc2ccc(F)cc2[n+]1C.CCn1c(=O)/c(=C/C=C2\Sc3ccccc3N2C)s/c1=C\c1sc2ccc(F)cc2[n+]1C.CCn1c(=O)/c(=C/C=C2\Sc3ccccc3N2C)s/c1=C\c1sc2ccc(F)cc2[n+]1C.CN1/C(=C/C=c2\s/c(=C\c3sc4ccc(F)cc4[n+]3C)n(CC(=O)O)c2=O)Sc2ccccc21.COCn1c(=O)/c(=C/C=C2\Sc3ccccc3N2C)s/c1=C\c1sc2ccc(F)cc2[n+]1C.CS(=O)(=O)[O-].Cc1ccc(S(=O)(=O)O)cc1.O=CO/C=C/C(=O)[O-].[Cl-].[Cl-].[Cl-].[Cl-].
What is the InChIKey of (2Z,5Z)-3-ethyl-2-[(5-fluoro-3-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-5-[(2Z)-2-(5-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)ethylidene]-1,3-thiazolidin-4-one;tris((2Z,5Z)-3-ethyl-2-[(5-fluoro-3-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-5-[(2Z)-2-(3-methyl-1,3-benzothiazol-2-ylidene)ethylidene]-1,3-thiazolidin-4-one);(2Z,5Z)-3-ethyl-5-[(2Z)-2-(5-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)ethylidene]-2-[(3-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-1,3-thiazolidin-4-one;(2Z,5Z)-2-[(5-fluoro-3-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-3-(methoxymethyl)-5-[(2Z)-2-(3-methyl-1,3-benzothiazol-2-ylidene)ethylidene]-1,3-thiazolidin-4-one;2-[(2Z,5Z)-2-[(5-fluoro-3-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-5-[(2Z)-2-(3-methyl-1,3-benzothiazol-2-ylidene)ethylidene]-4-oxo-1,3-thiazolidin-3-yl]acetic acid;(E)-3-formyloxyprop-2-enoate;methanesulfonate;4-methylbenzenesulfonic acid;tetrachloride?
The InChIKey is WXOJNLIWQFNWDQ-GRFWQTKWSA-I. The full InChI is InChI=1S/C24H20F2N3OS3.C24H18FN3O3S3.C24H21FN3O2S3.4C24H21FN3OS3.C7H8O3S.C4H4O4.CH4O3S.4ClH/c1-4-29-23(13-22-28(3)17-12-15(26)6-8-19(17)32-22)33-20(24(29)30)9-10-21-27(2)16-11-14(25)5-7-18(16)31-21;1-26-15-5-3-4-6-17(15)32-20(26)10-9-19-24(31)28(13-23(29)30)22(34-19)12-21-27(2)16-11-14(25)7-8-18(16)33-21;1-26-16-6-4-5-7-18(16)31-21(26)11-10-20-24(29)28(14-30-3)23(33-20)13-22-27(2)17-12-15(25)8-9-19(17)32-22;1-4-28-23(14-22-26(2)16-7-5-6-8-18(16)31-22)32-20(24(28)29)11-12-21-27(3)17-13-15(25)9-10-19(17)30-21;3*1-4-28-23(14-22-27(3)17-13-15(25)9-10-19(17)31-22)32-20(24(28)29)11-12-21-26(2)16-7-5-6-8-18(16)30-21;1-6-2-4-7(5-3-6)11(8,9)10;5-3-8-2-1-4(6)7;1-5(2,3)4;;;;/h5-13H,4H2,1-3H3;3-12H,13H2,1-2H3;4-13H,14H2,1-3H3;4*5-14H,4H2,1-3H3;2-5H,1H3,(H,8,9,10);1-3H,(H,6,7);1H3,(H,2,3,4);4*1H/q+1;;5*+1;;;;;;;/p-5/b20-9-,21-10-;19-9-,20-10-;20-10-,21-11-;4*20-11-,21-12-;;2-1+;;;;;.
What are the key properties of (2Z,5Z)-3-ethyl-2-[(5-fluoro-3-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-5-[(2Z)-2-(5-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)ethylidene]-1,3-thiazolidin-4-one;tris((2Z,5Z)-3-ethyl-2-[(5-fluoro-3-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-5-[(2Z)-2-(3-methyl-1,3-benzothiazol-2-ylidene)ethylidene]-1,3-thiazolidin-4-one);(2Z,5Z)-3-ethyl-5-[(2Z)-2-(5-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)ethylidene]-2-[(3-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-1,3-thiazolidin-4-one;(2Z,5Z)-2-[(5-fluoro-3-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-3-(methoxymethyl)-5-[(2Z)-2-(3-methyl-1,3-benzothiazol-2-ylidene)ethylidene]-1,3-thiazolidin-4-one;2-[(2Z,5Z)-2-[(5-fluoro-3-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-5-[(2Z)-2-(3-methyl-1,3-benzothiazol-2-ylidene)ethylidene]-4-oxo-1,3-thiazolidin-3-yl]acetic acid;(E)-3-formyloxyprop-2-enoate;methanesulfonate;4-methylbenzenesulfonic acid;tetrachloride?
(2Z,5Z)-3-ethyl-2-[(5-fluoro-3-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-5-[(2Z)-2-(5-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)ethylidene]-1,3-thiazolidin-4-one;tris((2Z,5Z)-3-ethyl-2-[(5-fluoro-3-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-5-[(2Z)-2-(3-methyl-1,3-benzothiazol-2-ylidene)ethylidene]-1,3-thiazolidin-4-one);(2Z,5Z)-3-ethyl-5-[(2Z)-2-(5-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)ethylidene]-2-[(3-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-1,3-thiazolidin-4-one;(2Z,5Z)-2-[(5-fluoro-3-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-3-(methoxymethyl)-5-[(2Z)-2-(3-methyl-1,3-benzothiazol-2-ylidene)ethylidene]-1,3-thiazolidin-4-one;2-[(2Z,5Z)-2-[(5-fluoro-3-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-5-[(2Z)-2-(3-methyl-1,3-benzothiazol-2-ylidene)ethylidene]-4-oxo-1,3-thiazolidin-3-yl]acetic acid;(E)-3-formyloxyprop-2-enoate;methanesulfonate;4-methylbenzenesulfonic acid;tetrachloride has a molecular weight of 3966.71 g/mol, XLogP of 12.24, 27 rotatable bonds, 2 hydrogen bond donors, and 53 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,5Z)-3-ethyl-2-[(5-fluoro-3-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-5-[(2Z)-2-(5-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)ethylidene]-1,3-thiazolidin-4-one;tris((2Z,5Z)-3-ethyl-2-[(5-fluoro-3-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-5-[(2Z)-2-(3-methyl-1,3-benzothiazol-2-ylidene)ethylidene]-1,3-thiazolidin-4-one);(2Z,5Z)-3-ethyl-5-[(2Z)-2-(5-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)ethylidene]-2-[(3-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-1,3-thiazolidin-4-one;(2Z,5Z)-2-[(5-fluoro-3-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-3-(methoxymethyl)-5-[(2Z)-2-(3-methyl-1,3-benzothiazol-2-ylidene)ethylidene]-1,3-thiazolidin-4-one;2-[(2Z,5Z)-2-[(5-fluoro-3-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-5-[(2Z)-2-(3-methyl-1,3-benzothiazol-2-ylidene)ethylidene]-4-oxo-1,3-thiazolidin-3-yl]acetic acid;(E)-3-formyloxyprop-2-enoate;methanesulfonate;4-methylbenzenesulfonic acid;tetrachloride is sourced from PubChem (CID 160555542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).