(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-[[3-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-3-ium-2-yl]methylidene]-1,3-thiazolidin-4-one;(2Z,5E)-3-ethyl-2-[(1-ethylpyridin-1-ium-2-yl)methylidene]-5-(4-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-1,3-thiazolidin-4-one;(2Z,5E)-3-ethyl-2-[(1-ethylpyridin-1-ium-2-yl)methylidene]-5-(7-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-1,3-thiazolidin-4-one;2-[(2Z,5E)-5-(4-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-4-oxo-2-(pyridin-4-ylmethylidene)-1,3-thiazolidin-3-yl]acetic acid;tetrachloride

C112H99Cl6F6N15O8S12 — CID 158794100

IUPAC(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-[[3-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-3-ium-2-yl]methylidene]-1,3-thiazolidin-4-one;(2Z,5E)-3-ethyl-2-[(1-ethylpyridin-1-ium-2-yl)methylidene]-5-(4-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-1,3-thiazolidin-4-one;(2Z,5E)-3-ethyl-2-[(1-ethylpyridin-1-ium-2-yl)methylidene]-5-(7-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-1,3-thiazolidin-4-one;2-[(2Z,5E)-5-(4-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-4-oxo-2-(pyridin-4-ylmethylidene)-1,3-thiazolidin-3-yl]acetic acid;tetrachloride
SMILESCCn1c(=O)/c(=C2\Sc3c(F)cccc3N2C)s/c1=C\c1cccc[n+]1CC.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+]1Cc1ccc(C(F)(F)F)cc1.CCn1c(=O)/c(=C2\Sc3cccc(F)c3N2C)s/c1=C\c1cccc[n+]1CC.CN1/C(=c2\s/c(=C\c3ccncc3)n(CC(=O)O)c2=O)Sc2cccc(F)c21.[Cl-].[Cl-].[Cl-].[Cl-]
InChIInChI=1S/C26H23ClN3O2S3.C25H20ClF3N3OS3.2C21H21FN3OS2.C19H14FN3O3S2.4ClH/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)18-9-8-17(26)12-19(18)35-24)13-20-31(10-11-34-20)14-15-4-6-16(7-5-15)25(27,28)29;1-4-24-12-7-6-9-14(24)13-17-25(5-2)20(26)19(28-17)21-23(3)18-15(22)10-8-11-16(18)27-21;1-4-24-12-7-6-9-14(24)13-17-25(5-2)20(26)19(27-17)21-23(3)16-11-8-10-15(22)18(16)28-21;1-22-16-12(20)3-2-4-13(16)27-19(22)17-18(26)23(10-15(24)25)14(28-17)9-11-5-7-21-8-6-11;;;;/h5-16H,4H2,1-3H3;4-13H,3,14H2,1-2H3;2*6-13H,4-5H2,1-3H3;2-9H,10H2,1H3,(H,24,25);4*1H/q4*+1;;;;;/p-4/b26-24+;24-22+;2*21-19+;14-9-,19-17+;;;;
InChIKeyQHNVWZQCTGCJFA-IYUCEBKJSA-J
MW2494.63 g/mol
LogP4.36
Rot. Bonds18

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-[[3-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-3-ium-2-yl]methylidene]-1,3-thiazolidin-4-one;(2Z,5E)-3-ethyl-2-[(1-ethylpyridin-1-ium-2-yl)methylidene]-5-(4-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-1,3-thiazolidin-4-one;(2Z,5E)-3-ethyl-2-[(1-ethylpyridin-1-ium-2-yl)methylidene]-5-(7-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-1,3-thiazolidin-4-one;2-[(2Z,5E)-5-(4-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-4-oxo-2-(pyridin-4-ylmethylidene)-1,3-thiazolidin-3-yl]acetic acid;tetrachloride

(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-[[3-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-3-ium-2-yl]methylidene]-1,3-thiazolidin-4-one;(2Z,5E)-3-ethyl-2-[(1-ethylpyridin-1-ium-2-yl)methylidene]-5-(4-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-1,3-thiazolidin-4-one;(2Z,5E)-3-ethyl-2-[(1-ethylpyridin-1-ium-2-yl)methylidene]-5-(7-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-1,3-thiazolidin-4-one;2-[(2Z,5E)-5-(4-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-4-oxo-2-(pyridin-4-ylmethylidene)-1,3-thiazolidin-3-yl]acetic acid;tetrachloride (PubChem CID 158794100) has the molecular formula C112H99Cl6F6N15O8S12 and a molecular weight of 2494.63 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-[[3-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-3-ium-2-yl]methylidene]-1,3-thiazolidin-4-one;(2Z,5E)-3-ethyl-2-[(1-ethylpyridin-1-ium-2-yl)methylidene]-5-(4-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-1,3-thiazolidin-4-one;(2Z,5E)-3-ethyl-2-[(1-ethylpyridin-1-ium-2-yl)methylidene]-5-(7-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-1,3-thiazolidin-4-one;2-[(2Z,5E)-5-(4-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-4-oxo-2-(pyridin-4-ylmethylidene)-1,3-thiazolidin-3-yl]acetic acid;tetrachloride.

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-[[3-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-3-ium-2-yl]methylidene]-1,3-thiazolidin-4-one;(2Z,5E)-3-ethyl-2-[(1-ethylpyridin-1-ium-2-yl)methylidene]-5-(4-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-1,3-thiazolidin-4-one;(2Z,5E)-3-ethyl-2-[(1-ethylpyridin-1-ium-2-yl)methylidene]-5-(7-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-1,3-thiazolidin-4-one;2-[(2Z,5E)-5-(4-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-4-oxo-2-(pyridin-4-ylmethylidene)-1,3-thiazolidin-3-yl]acetic acid;tetrachloride
PubChem CID158794100
Molecular FormulaC112H99Cl6F6N15O8S12
Molecular Weight2494.63 g/mol
Exact Mass2489.25
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-[[3-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-3-ium-2-yl]methylidene]-1,3-thiazolidin-4-one;(2Z,5E)-3-ethyl-2-[(1-ethylpyridin-1-ium-2-yl)methylidene]-5-(4-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-1,3-thiazolidin-4-one;(2Z,5E)-3-ethyl-2-[(1-ethylpyridin-1-ium-2-yl)methylidene]-5-(7-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-1,3-thiazolidin-4-one;2-[(2Z,5E)-5-(4-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-4-oxo-2-(pyridin-4-ylmethylidene)-1,3-thiazolidin-3-yl]acetic acid;tetrachloride
SMILESCCn1c(=O)/c(=C2\Sc3c(F)cccc3N2C)s/c1=C\c1cccc[n+]1CC.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+]1Cc1ccc(C(F)(F)F)cc1.CCn1c(=O)/c(=C2\Sc3cccc(F)c3N2C)s/c1=C\c1cccc[n+]1CC.CN1/C(=c2\s/c(=C\c3ccncc3)n(CC(=O)O)c2=O)Sc2cccc(F)c21.[Cl-].[Cl-].[Cl-].[Cl-]
InChIInChI=1S/C26H23ClN3O2S3.C25H20ClF3N3OS3.2C21H21FN3OS2.C19H14FN3O3S2.4ClH/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)18-9-8-17(26)12-19(18)35-24)13-20-31(10-11-34-20)14-15-4-6-16(7-5-15)25(27,28)29;1-4-24-12-7-6-9-14(24)13-17-25(5-2)20(26)19(28-17)21-23(3)18-15(22)10-8-11-16(18)27-21;1-4-24-12-7-6-9-14(24)13-17-25(5-2)20(26)19(27-17)21-23(3)16-11-8-10-15(22)18(16)28-21;1-22-16-12(20)3-2-4-13(16)27-19(22)17-18(26)23(10-15(24)25)14(28-17)9-11-5-7-21-8-6-11;;;;/h5-16H,4H2,1-3H3;4-13H,3,14H2,1-2H3;2*6-13H,4-5H2,1-3H3;2-9H,10H2,1H3,(H,24,25);4*1H/q4*+1;;;;;/p-4/b26-24+;24-22+;2*21-19+;14-9-,19-17+;;;;
InChIKeyQHNVWZQCTGCJFA-IYUCEBKJSA-J
XLogP4.36
TPSA208.98 Ų
H-Bond Donors1
H-Bond Acceptors30
Rotatable Bonds18
Heavy Atoms159
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002494.63
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

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

Analyze (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-[[3-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-3-ium-2-yl]methylidene]-1,3-thiazolidin-4-one;(2Z,5E)-3-ethyl-2-[(1-ethylpyridin-1-ium-2-yl)methylidene]-5-(4-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-1,3-thiazolidin-4-one;(2Z,5E)-3-ethyl-2-[(1-ethylpyridin-1-ium-2-yl)methylidene]-5-(7-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-1,3-thiazolidin-4-one;2-[(2Z,5E)-5-(4-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-4-oxo-2-(pyridin-4-ylmethylidene)-1,3-thiazolidin-3-yl]acetic acid;tetrachloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-[[3-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-3-ium-2-yl]methylidene]-1,3-thiazolidin-4-one;(2Z,5E)-3-ethyl-2-[(1-ethylpyridin-1-ium-2-yl)methylidene]-5-(4-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-1,3-thiazolidin-4-one;(2Z,5E)-3-ethyl-2-[(1-ethylpyridin-1-ium-2-yl)methylidene]-5-(7-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-1,3-thiazolidin-4-one;2-[(2Z,5E)-5-(4-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-4-oxo-2-(pyridin-4-ylmethylidene)-1,3-thiazolidin-3-yl]acetic acid;tetrachloride?
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-[[3-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-3-ium-2-yl]methylidene]-1,3-thiazolidin-4-one;(2Z,5E)-3-ethyl-2-[(1-ethylpyridin-1-ium-2-yl)methylidene]-5-(4-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-1,3-thiazolidin-4-one;(2Z,5E)-3-ethyl-2-[(1-ethylpyridin-1-ium-2-yl)methylidene]-5-(7-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-1,3-thiazolidin-4-one;2-[(2Z,5E)-5-(4-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-4-oxo-2-(pyridin-4-ylmethylidene)-1,3-thiazolidin-3-yl]acetic acid;tetrachloride (CID 158794100) 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-[[3-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-3-ium-2-yl]methylidene]-1,3-thiazolidin-4-one;(2Z,5E)-3-ethyl-2-[(1-ethylpyridin-1-ium-2-yl)methylidene]-5-(4-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-1,3-thiazolidin-4-one;(2Z,5E)-3-ethyl-2-[(1-ethylpyridin-1-ium-2-yl)methylidene]-5-(7-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-1,3-thiazolidin-4-one;2-[(2Z,5E)-5-(4-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-4-oxo-2-(pyridin-4-ylmethylidene)-1,3-thiazolidin-3-yl]acetic acid;tetrachloride.
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-[[3-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-3-ium-2-yl]methylidene]-1,3-thiazolidin-4-one;(2Z,5E)-3-ethyl-2-[(1-ethylpyridin-1-ium-2-yl)methylidene]-5-(4-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-1,3-thiazolidin-4-one;(2Z,5E)-3-ethyl-2-[(1-ethylpyridin-1-ium-2-yl)methylidene]-5-(7-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-1,3-thiazolidin-4-one;2-[(2Z,5E)-5-(4-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-4-oxo-2-(pyridin-4-ylmethylidene)-1,3-thiazolidin-3-yl]acetic acid;tetrachloride?
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-[[3-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-3-ium-2-yl]methylidene]-1,3-thiazolidin-4-one;(2Z,5E)-3-ethyl-2-[(1-ethylpyridin-1-ium-2-yl)methylidene]-5-(4-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-1,3-thiazolidin-4-one;(2Z,5E)-3-ethyl-2-[(1-ethylpyridin-1-ium-2-yl)methylidene]-5-(7-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-1,3-thiazolidin-4-one;2-[(2Z,5E)-5-(4-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-4-oxo-2-(pyridin-4-ylmethylidene)-1,3-thiazolidin-3-yl]acetic acid;tetrachloride is CCn1c(=O)/c(=C2\Sc3c(F)cccc3N2C)s/c1=C\c1cccc[n+]1CC.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+]1Cc1ccc(C(F)(F)F)cc1.CCn1c(=O)/c(=C2\Sc3cccc(F)c3N2C)s/c1=C\c1cccc[n+]1CC.CN1/C(=c2\s/c(=C\c3ccncc3)n(CC(=O)O)c2=O)Sc2cccc(F)c21.[Cl-].[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-[[3-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-3-ium-2-yl]methylidene]-1,3-thiazolidin-4-one;(2Z,5E)-3-ethyl-2-[(1-ethylpyridin-1-ium-2-yl)methylidene]-5-(4-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-1,3-thiazolidin-4-one;(2Z,5E)-3-ethyl-2-[(1-ethylpyridin-1-ium-2-yl)methylidene]-5-(7-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-1,3-thiazolidin-4-one;2-[(2Z,5E)-5-(4-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-4-oxo-2-(pyridin-4-ylmethylidene)-1,3-thiazolidin-3-yl]acetic acid;tetrachloride?
The InChIKey is QHNVWZQCTGCJFA-IYUCEBKJSA-J. The full InChI is InChI=1S/C26H23ClN3O2S3.C25H20ClF3N3OS3.2C21H21FN3OS2.C19H14FN3O3S2.4ClH/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)18-9-8-17(26)12-19(18)35-24)13-20-31(10-11-34-20)14-15-4-6-16(7-5-15)25(27,28)29;1-4-24-12-7-6-9-14(24)13-17-25(5-2)20(26)19(28-17)21-23(3)18-15(22)10-8-11-16(18)27-21;1-4-24-12-7-6-9-14(24)13-17-25(5-2)20(26)19(27-17)21-23(3)16-11-8-10-15(22)18(16)28-21;1-22-16-12(20)3-2-4-13(16)27-19(22)17-18(26)23(10-15(24)25)14(28-17)9-11-5-7-21-8-6-11;;;;/h5-16H,4H2,1-3H3;4-13H,3,14H2,1-2H3;2*6-13H,4-5H2,1-3H3;2-9H,10H2,1H3,(H,24,25);4*1H/q4*+1;;;;;/p-4/b26-24+;24-22+;2*21-19+;14-9-,19-17+;;;;.
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-[[3-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-3-ium-2-yl]methylidene]-1,3-thiazolidin-4-one;(2Z,5E)-3-ethyl-2-[(1-ethylpyridin-1-ium-2-yl)methylidene]-5-(4-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-1,3-thiazolidin-4-one;(2Z,5E)-3-ethyl-2-[(1-ethylpyridin-1-ium-2-yl)methylidene]-5-(7-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-1,3-thiazolidin-4-one;2-[(2Z,5E)-5-(4-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-4-oxo-2-(pyridin-4-ylmethylidene)-1,3-thiazolidin-3-yl]acetic acid;tetrachloride?
(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-[[3-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-3-ium-2-yl]methylidene]-1,3-thiazolidin-4-one;(2Z,5E)-3-ethyl-2-[(1-ethylpyridin-1-ium-2-yl)methylidene]-5-(4-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-1,3-thiazolidin-4-one;(2Z,5E)-3-ethyl-2-[(1-ethylpyridin-1-ium-2-yl)methylidene]-5-(7-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-1,3-thiazolidin-4-one;2-[(2Z,5E)-5-(4-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-4-oxo-2-(pyridin-4-ylmethylidene)-1,3-thiazolidin-3-yl]acetic acid;tetrachloride has a molecular weight of 2494.63 g/mol, XLogP of 4.36, 18 rotatable bonds, 1 hydrogen bond donors, and 30 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-[[3-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-3-ium-2-yl]methylidene]-1,3-thiazolidin-4-one;(2Z,5E)-3-ethyl-2-[(1-ethylpyridin-1-ium-2-yl)methylidene]-5-(4-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-1,3-thiazolidin-4-one;(2Z,5E)-3-ethyl-2-[(1-ethylpyridin-1-ium-2-yl)methylidene]-5-(7-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-1,3-thiazolidin-4-one;2-[(2Z,5E)-5-(4-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-4-oxo-2-(pyridin-4-ylmethylidene)-1,3-thiazolidin-3-yl]acetic acid;tetrachloride is sourced from PubChem (CID 158794100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).