2-[(E)-2-(furan-2-yl)ethenyl]-3-[[4-[[2-[(E)-2-(furan-2-yl)ethenyl]-2-methyl-4-oxo-1,3-thiazolidin-3-yl]amino]phthalazin-1-yl]amino]-2-methyl-1,3-thiazolidin-4-one

C28H26N6O4S2 — CID 10531202

IUPAC2-[(E)-2-(furan-2-yl)ethenyl]-3-[[4-[[2-[(E)-2-(furan-2-yl)ethenyl]-2-methyl-4-oxo-1,3-thiazolidin-3-yl]amino]phthalazin-1-yl]amino]-2-methyl-1,3-thiazolidin-4-one
SMILESCC1(/C=C/c2ccco2)SCC(=O)N1Nc1nnc(NN2C(=O)CSC2(C)/C=C/c2ccco2)c2ccccc12
InChIInChI=1S/C28H26N6O4S2/c1-27(13-11-19-7-5-15-37-19)33(23(35)17-39-27)31-25-21-9-3-4-10-22(21)26(30-29-25)32-34-24(36)18-40-28(34,2)14-12-20-8-6-16-38-20/h3-16H,17-18H2,1-2H3,(H,29,31)(H,30,32)/b13-11+,14-12+
InChIKeyYRQUDHJRKZXIHL-PHEQNACWSA-N
MW574.69 g/mol
LogP5.48
Rot. Bonds8

About 2-[(E)-2-(furan-2-yl)ethenyl]-3-[[4-[[2-[(E)-2-(furan-2-yl)ethenyl]-2-methyl-4-oxo-1,3-thiazolidin-3-yl]amino]phthalazin-1-yl]amino]-2-methyl-1,3-thiazolidin-4-one

2-[(E)-2-(furan-2-yl)ethenyl]-3-[[4-[[2-[(E)-2-(furan-2-yl)ethenyl]-2-methyl-4-oxo-1,3-thiazolidin-3-yl]amino]phthalazin-1-yl]amino]-2-methyl-1,3-thiazolidin-4-one (PubChem CID 10531202) has the molecular formula C28H26N6O4S2 and a molecular weight of 574.69 g/mol. Its IUPAC name is 2-[(E)-2-(furan-2-yl)ethenyl]-3-[[4-[[2-[(E)-2-(furan-2-yl)ethenyl]-2-methyl-4-oxo-1,3-thiazolidin-3-yl]amino]phthalazin-1-yl]amino]-2-methyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-[(E)-2-(furan-2-yl)ethenyl]-3-[[4-[[2-[(E)-2-(furan-2-yl)ethenyl]-2-methyl-4-oxo-1,3-thiazolidin-3-yl]amino]phthalazin-1-yl]amino]-2-methyl-1,3-thiazolidin-4-one
PubChem CID10531202
Molecular FormulaC28H26N6O4S2
Molecular Weight574.69 g/mol
Exact Mass574.15
IUPAC Name2-[(E)-2-(furan-2-yl)ethenyl]-3-[[4-[[2-[(E)-2-(furan-2-yl)ethenyl]-2-methyl-4-oxo-1,3-thiazolidin-3-yl]amino]phthalazin-1-yl]amino]-2-methyl-1,3-thiazolidin-4-one
SMILESCC1(/C=C/c2ccco2)SCC(=O)N1Nc1nnc(NN2C(=O)CSC2(C)/C=C/c2ccco2)c2ccccc12
InChIInChI=1S/C28H26N6O4S2/c1-27(13-11-19-7-5-15-37-19)33(23(35)17-39-27)31-25-21-9-3-4-10-22(21)26(30-29-25)32-34-24(36)18-40-28(34,2)14-12-20-8-6-16-38-20/h3-16H,17-18H2,1-2H3,(H,29,31)(H,30,32)/b13-11+,14-12+
InChIKeyYRQUDHJRKZXIHL-PHEQNACWSA-N
XLogP5.48
TPSA116.74 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.69
LogP ≤ 55.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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

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Related Compounds

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
(E)-3-(furan-2-yl)-1-[4-methyl-4-(methylamino)piperidin-1-yl]prop-2-en-1-one
CID 113282924
4-[(E)-2-(furan-2-yl)ethenyl]-4-methyl-1,3-oxazolidin-2-one
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N,1-bis(1-adamantyl)-2-[2-(furan-2-yl)ethenyl]-4-oxoazetidine-2-carboxamide
CID 3698247
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CID 3771667
(E)-3-(furan-2-yl)-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]prop-2-enamide
CID 86263711
3-(furan-2-yl)-1-(4-methylpiperazin-1-yl)prop-2-en-1-one
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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(furan-2-yl)ethenyl]-3-[[4-[[2-[(E)-2-(furan-2-yl)ethenyl]-2-methyl-4-oxo-1,3-thiazolidin-3-yl]amino]phthalazin-1-yl]amino]-2-methyl-1,3-thiazolidin-4-one?
The IUPAC name of 2-[(E)-2-(furan-2-yl)ethenyl]-3-[[4-[[2-[(E)-2-(furan-2-yl)ethenyl]-2-methyl-4-oxo-1,3-thiazolidin-3-yl]amino]phthalazin-1-yl]amino]-2-methyl-1,3-thiazolidin-4-one (CID 10531202) is 2-[(E)-2-(furan-2-yl)ethenyl]-3-[[4-[[2-[(E)-2-(furan-2-yl)ethenyl]-2-methyl-4-oxo-1,3-thiazolidin-3-yl]amino]phthalazin-1-yl]amino]-2-methyl-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-[(E)-2-(furan-2-yl)ethenyl]-3-[[4-[[2-[(E)-2-(furan-2-yl)ethenyl]-2-methyl-4-oxo-1,3-thiazolidin-3-yl]amino]phthalazin-1-yl]amino]-2-methyl-1,3-thiazolidin-4-one?
The canonical SMILES for 2-[(E)-2-(furan-2-yl)ethenyl]-3-[[4-[[2-[(E)-2-(furan-2-yl)ethenyl]-2-methyl-4-oxo-1,3-thiazolidin-3-yl]amino]phthalazin-1-yl]amino]-2-methyl-1,3-thiazolidin-4-one is CC1(/C=C/c2ccco2)SCC(=O)N1Nc1nnc(NN2C(=O)CSC2(C)/C=C/c2ccco2)c2ccccc12.
What is the InChIKey of 2-[(E)-2-(furan-2-yl)ethenyl]-3-[[4-[[2-[(E)-2-(furan-2-yl)ethenyl]-2-methyl-4-oxo-1,3-thiazolidin-3-yl]amino]phthalazin-1-yl]amino]-2-methyl-1,3-thiazolidin-4-one?
The InChIKey is YRQUDHJRKZXIHL-PHEQNACWSA-N. The full InChI is InChI=1S/C28H26N6O4S2/c1-27(13-11-19-7-5-15-37-19)33(23(35)17-39-27)31-25-21-9-3-4-10-22(21)26(30-29-25)32-34-24(36)18-40-28(34,2)14-12-20-8-6-16-38-20/h3-16H,17-18H2,1-2H3,(H,29,31)(H,30,32)/b13-11+,14-12+.
What are the key properties of 2-[(E)-2-(furan-2-yl)ethenyl]-3-[[4-[[2-[(E)-2-(furan-2-yl)ethenyl]-2-methyl-4-oxo-1,3-thiazolidin-3-yl]amino]phthalazin-1-yl]amino]-2-methyl-1,3-thiazolidin-4-one?
2-[(E)-2-(furan-2-yl)ethenyl]-3-[[4-[[2-[(E)-2-(furan-2-yl)ethenyl]-2-methyl-4-oxo-1,3-thiazolidin-3-yl]amino]phthalazin-1-yl]amino]-2-methyl-1,3-thiazolidin-4-one has a molecular weight of 574.69 g/mol, XLogP of 5.48, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(furan-2-yl)ethenyl]-3-[[4-[[2-[(E)-2-(furan-2-yl)ethenyl]-2-methyl-4-oxo-1,3-thiazolidin-3-yl]amino]phthalazin-1-yl]amino]-2-methyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 10531202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).