[5-(2,4-difluorophenyl)-2-(1,1-dihydroxy-1,2-thiazolidin-2-yl)-4-hydroxyfuran-3-yl] acetate

C15H15F2NO6S — CID 90083647

IUPAC[5-(2,4-difluorophenyl)-2-(1,1-dihydroxy-1,2-thiazolidin-2-yl)-4-hydroxyfuran-3-yl] acetate
SMILESCC(=O)Oc1c(N2CCCS2(O)O)oc(-c2ccc(F)cc2F)c1O
InChIInChI=1S/C15H15F2NO6S/c1-8(19)23-14-12(20)13(10-4-3-9(16)7-11(10)17)24-15(14)18-5-2-6-25(18,21)22/h3-4,7,20-22H,2,5-6H2,1H3
InChIKeyZWULSLIVBLRQFI-UHFFFAOYSA-N
MW375.35 g/mol
LogP3.73
Rot. Bonds3

About [5-(2,4-difluorophenyl)-2-(1,1-dihydroxy-1,2-thiazolidin-2-yl)-4-hydroxyfuran-3-yl] acetate

[5-(2,4-difluorophenyl)-2-(1,1-dihydroxy-1,2-thiazolidin-2-yl)-4-hydroxyfuran-3-yl] acetate (PubChem CID 90083647) has the molecular formula C15H15F2NO6S and a molecular weight of 375.35 g/mol. Its IUPAC name is [5-(2,4-difluorophenyl)-2-(1,1-dihydroxy-1,2-thiazolidin-2-yl)-4-hydroxyfuran-3-yl] acetate.

Molecular Properties

Compound Name[5-(2,4-difluorophenyl)-2-(1,1-dihydroxy-1,2-thiazolidin-2-yl)-4-hydroxyfuran-3-yl] acetate
PubChem CID90083647
Molecular FormulaC15H15F2NO6S
Molecular Weight375.35 g/mol
Exact Mass375.06
IUPAC Name[5-(2,4-difluorophenyl)-2-(1,1-dihydroxy-1,2-thiazolidin-2-yl)-4-hydroxyfuran-3-yl] acetate
SMILESCC(=O)Oc1c(N2CCCS2(O)O)oc(-c2ccc(F)cc2F)c1O
InChIInChI=1S/C15H15F2NO6S/c1-8(19)23-14-12(20)13(10-4-3-9(16)7-11(10)17)24-15(14)18-5-2-6-25(18,21)22/h3-4,7,20-22H,2,5-6H2,1H3
InChIKeyZWULSLIVBLRQFI-UHFFFAOYSA-N
XLogP3.73
TPSA103.37 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.35
LogP ≤ 53.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze [5-(2,4-difluorophenyl)-2-(1,1-dihydroxy-1,2-thiazolidin-2-yl)-4-hydroxyfuran-3-yl] acetate with MolForge

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Related Compounds

[5-(2,6-difluorophenyl)-2-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-hydroxyfuran-3-yl] acetate
CID 90083296
[5-(2,6-dichlorophenyl)-2-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-hydroxyfuran-3-yl] acetate
CID 90083637
[5-(2,4-difluorophenyl)-2-[ethylsulfonyl(methyl)amino]-4-hydroxyfuran-3-yl] acetate
CID 90081886
[2-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-hydroxy-5-(1,3-thiazol-2-yl)furan-3-yl] acetate
CID 136501265
[5-(2,4-dichlorophenyl)-2-(2,5-dioxopyrrolidin-1-yl)-4-hydroxyfuran-3-yl] acetate
CID 90081056
2-(1,1-dihydroxy-1,2-thiazolidin-2-yl)-5-(3-methoxyphenyl)furan-3,4-diol
CID 90083619
2-acetyloxy-5-(2,4-difluorophenyl)benzoic acid
CID 10447030
1-[2-(2,4-difluorophenyl)-4-fluorophenyl]ethanone
CID 22482372
[2-(2,5-dioxopyrrolidin-1-yl)-5-(furan-2-yl)-4-hydroxyfuran-3-yl] acetate
CID 90081579
[4-(2,4-difluorophenyl)-2-ethylsulfanylcarbonylphenyl] acetate
CID 123921466
4-(2,4-difluorophenyl)-3-hydroxybenzoic acid
CID 53225857
[2-amino-5-(2,4-difluorophenyl)-4-hydroxyfuran-3-yl] phenylmethanesulfonate
CID 123951459

Frequently Asked Questions

What is the IUPAC name of [5-(2,4-difluorophenyl)-2-(1,1-dihydroxy-1,2-thiazolidin-2-yl)-4-hydroxyfuran-3-yl] acetate?
The IUPAC name of [5-(2,4-difluorophenyl)-2-(1,1-dihydroxy-1,2-thiazolidin-2-yl)-4-hydroxyfuran-3-yl] acetate (CID 90083647) is [5-(2,4-difluorophenyl)-2-(1,1-dihydroxy-1,2-thiazolidin-2-yl)-4-hydroxyfuran-3-yl] acetate.
What is the SMILES notation for [5-(2,4-difluorophenyl)-2-(1,1-dihydroxy-1,2-thiazolidin-2-yl)-4-hydroxyfuran-3-yl] acetate?
The canonical SMILES for [5-(2,4-difluorophenyl)-2-(1,1-dihydroxy-1,2-thiazolidin-2-yl)-4-hydroxyfuran-3-yl] acetate is CC(=O)Oc1c(N2CCCS2(O)O)oc(-c2ccc(F)cc2F)c1O.
What is the InChIKey of [5-(2,4-difluorophenyl)-2-(1,1-dihydroxy-1,2-thiazolidin-2-yl)-4-hydroxyfuran-3-yl] acetate?
The InChIKey is ZWULSLIVBLRQFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2NO6S/c1-8(19)23-14-12(20)13(10-4-3-9(16)7-11(10)17)24-15(14)18-5-2-6-25(18,21)22/h3-4,7,20-22H,2,5-6H2,1H3.
What are the key properties of [5-(2,4-difluorophenyl)-2-(1,1-dihydroxy-1,2-thiazolidin-2-yl)-4-hydroxyfuran-3-yl] acetate?
[5-(2,4-difluorophenyl)-2-(1,1-dihydroxy-1,2-thiazolidin-2-yl)-4-hydroxyfuran-3-yl] acetate has a molecular weight of 375.35 g/mol, XLogP of 3.73, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2,4-difluorophenyl)-2-(1,1-dihydroxy-1,2-thiazolidin-2-yl)-4-hydroxyfuran-3-yl] acetate is sourced from PubChem (CID 90083647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).