2-[(E)-2-(4-methoxyphenyl)ethenyl]-3-[[4-[[2-[(E)-2-(4-methoxyphenyl)ethenyl]-2,5-dimethyl-4-oxo-1,3-thiazolidin-3-yl]amino]phthalazin-1-yl]amino]-2,5-dimethyl-1,3-thiazolidin-4-one

C36H38N6O4S2 — CID 10747113

IUPAC2-[(E)-2-(4-methoxyphenyl)ethenyl]-3-[[4-[[2-[(E)-2-(4-methoxyphenyl)ethenyl]-2,5-dimethyl-4-oxo-1,3-thiazolidin-3-yl]amino]phthalazin-1-yl]amino]-2,5-dimethyl-1,3-thiazolidin-4-one
SMILESCOc1ccc(/C=C/C2(C)SC(C)C(=O)N2Nc2nnc(NN3C(=O)C(C)SC3(C)/C=C/c3ccc(OC)cc3)c3ccccc23)cc1
InChIInChI=1S/C36H38N6O4S2/c1-23-33(43)41(35(3,47-23)21-19-25-11-15-27(45-5)16-12-25)39-31-29-9-7-8-10-30(29)32(38-37-31)40-42-34(44)24(2)48-36(42,4)22-20-26-13-17-28(46-6)18-14-26/h7-24H,1-6H3,(H,37,39)(H,38,40)/b21-19+,22-20+
InChIKeyFGVIWFBARRYUER-FLFKKZLDSA-N
MW682.87 g/mol
LogP7.09
Rot. Bonds10

About 2-[(E)-2-(4-methoxyphenyl)ethenyl]-3-[[4-[[2-[(E)-2-(4-methoxyphenyl)ethenyl]-2,5-dimethyl-4-oxo-1,3-thiazolidin-3-yl]amino]phthalazin-1-yl]amino]-2,5-dimethyl-1,3-thiazolidin-4-one

2-[(E)-2-(4-methoxyphenyl)ethenyl]-3-[[4-[[2-[(E)-2-(4-methoxyphenyl)ethenyl]-2,5-dimethyl-4-oxo-1,3-thiazolidin-3-yl]amino]phthalazin-1-yl]amino]-2,5-dimethyl-1,3-thiazolidin-4-one (PubChem CID 10747113) has the molecular formula C36H38N6O4S2 and a molecular weight of 682.87 g/mol. Its IUPAC name is 2-[(E)-2-(4-methoxyphenyl)ethenyl]-3-[[4-[[2-[(E)-2-(4-methoxyphenyl)ethenyl]-2,5-dimethyl-4-oxo-1,3-thiazolidin-3-yl]amino]phthalazin-1-yl]amino]-2,5-dimethyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-[(E)-2-(4-methoxyphenyl)ethenyl]-3-[[4-[[2-[(E)-2-(4-methoxyphenyl)ethenyl]-2,5-dimethyl-4-oxo-1,3-thiazolidin-3-yl]amino]phthalazin-1-yl]amino]-2,5-dimethyl-1,3-thiazolidin-4-one
PubChem CID10747113
Molecular FormulaC36H38N6O4S2
Molecular Weight682.87 g/mol
Exact Mass682.24
IUPAC Name2-[(E)-2-(4-methoxyphenyl)ethenyl]-3-[[4-[[2-[(E)-2-(4-methoxyphenyl)ethenyl]-2,5-dimethyl-4-oxo-1,3-thiazolidin-3-yl]amino]phthalazin-1-yl]amino]-2,5-dimethyl-1,3-thiazolidin-4-one
SMILESCOc1ccc(/C=C/C2(C)SC(C)C(=O)N2Nc2nnc(NN3C(=O)C(C)SC3(C)/C=C/c3ccc(OC)cc3)c3ccccc23)cc1
InChIInChI=1S/C36H38N6O4S2/c1-23-33(43)41(35(3,47-23)21-19-25-11-15-27(45-5)16-12-25)39-31-29-9-7-8-10-30(29)32(38-37-31)40-42-34(44)24(2)48-36(42,4)22-20-26-13-17-28(46-6)18-14-26/h7-24H,1-6H3,(H,37,39)(H,38,40)/b21-19+,22-20+
InChIKeyFGVIWFBARRYUER-FLFKKZLDSA-N
XLogP7.09
TPSA108.92 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500682.87
LogP ≤ 57.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 2-[(E)-2-(4-methoxyphenyl)ethenyl]-3-[[4-[[2-[(E)-2-(4-methoxyphenyl)ethenyl]-2,5-dimethyl-4-oxo-1,3-thiazolidin-3-yl]amino]phthalazin-1-yl]amino]-2,5-dimethyl-1,3-thiazolidin-4-one with MolForge

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Related Compounds

(5E)-5-[(4-methoxyphenyl)methylidene]-3-[[4-[[(4E)-4-[(4-methoxyphenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]amino]phthalazin-1-yl]amino]-2-phenylimidazol-4-one
CID 99668741
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CID 10531202
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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(4-methoxyphenyl)ethenyl]-3-[[4-[[2-[(E)-2-(4-methoxyphenyl)ethenyl]-2,5-dimethyl-4-oxo-1,3-thiazolidin-3-yl]amino]phthalazin-1-yl]amino]-2,5-dimethyl-1,3-thiazolidin-4-one?
The IUPAC name of 2-[(E)-2-(4-methoxyphenyl)ethenyl]-3-[[4-[[2-[(E)-2-(4-methoxyphenyl)ethenyl]-2,5-dimethyl-4-oxo-1,3-thiazolidin-3-yl]amino]phthalazin-1-yl]amino]-2,5-dimethyl-1,3-thiazolidin-4-one (CID 10747113) is 2-[(E)-2-(4-methoxyphenyl)ethenyl]-3-[[4-[[2-[(E)-2-(4-methoxyphenyl)ethenyl]-2,5-dimethyl-4-oxo-1,3-thiazolidin-3-yl]amino]phthalazin-1-yl]amino]-2,5-dimethyl-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-[(E)-2-(4-methoxyphenyl)ethenyl]-3-[[4-[[2-[(E)-2-(4-methoxyphenyl)ethenyl]-2,5-dimethyl-4-oxo-1,3-thiazolidin-3-yl]amino]phthalazin-1-yl]amino]-2,5-dimethyl-1,3-thiazolidin-4-one?
The canonical SMILES for 2-[(E)-2-(4-methoxyphenyl)ethenyl]-3-[[4-[[2-[(E)-2-(4-methoxyphenyl)ethenyl]-2,5-dimethyl-4-oxo-1,3-thiazolidin-3-yl]amino]phthalazin-1-yl]amino]-2,5-dimethyl-1,3-thiazolidin-4-one is COc1ccc(/C=C/C2(C)SC(C)C(=O)N2Nc2nnc(NN3C(=O)C(C)SC3(C)/C=C/c3ccc(OC)cc3)c3ccccc23)cc1.
What is the InChIKey of 2-[(E)-2-(4-methoxyphenyl)ethenyl]-3-[[4-[[2-[(E)-2-(4-methoxyphenyl)ethenyl]-2,5-dimethyl-4-oxo-1,3-thiazolidin-3-yl]amino]phthalazin-1-yl]amino]-2,5-dimethyl-1,3-thiazolidin-4-one?
The InChIKey is FGVIWFBARRYUER-FLFKKZLDSA-N. The full InChI is InChI=1S/C36H38N6O4S2/c1-23-33(43)41(35(3,47-23)21-19-25-11-15-27(45-5)16-12-25)39-31-29-9-7-8-10-30(29)32(38-37-31)40-42-34(44)24(2)48-36(42,4)22-20-26-13-17-28(46-6)18-14-26/h7-24H,1-6H3,(H,37,39)(H,38,40)/b21-19+,22-20+.
What are the key properties of 2-[(E)-2-(4-methoxyphenyl)ethenyl]-3-[[4-[[2-[(E)-2-(4-methoxyphenyl)ethenyl]-2,5-dimethyl-4-oxo-1,3-thiazolidin-3-yl]amino]phthalazin-1-yl]amino]-2,5-dimethyl-1,3-thiazolidin-4-one?
2-[(E)-2-(4-methoxyphenyl)ethenyl]-3-[[4-[[2-[(E)-2-(4-methoxyphenyl)ethenyl]-2,5-dimethyl-4-oxo-1,3-thiazolidin-3-yl]amino]phthalazin-1-yl]amino]-2,5-dimethyl-1,3-thiazolidin-4-one has a molecular weight of 682.87 g/mol, XLogP of 7.09, 10 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(4-methoxyphenyl)ethenyl]-3-[[4-[[2-[(E)-2-(4-methoxyphenyl)ethenyl]-2,5-dimethyl-4-oxo-1,3-thiazolidin-3-yl]amino]phthalazin-1-yl]amino]-2,5-dimethyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 10747113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).