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

C13H15NO7S — CID 90083552

IUPAC[2-(1,1-dihydroxy-1,2-thiazolidin-2-yl)-5-(furan-2-yl)-4-hydroxyfuran-3-yl] acetate
SMILESCC(=O)Oc1c(N2CCCS2(O)O)oc(-c2ccco2)c1O
InChIInChI=1S/C13H15NO7S/c1-8(15)20-12-10(16)11(9-4-2-6-19-9)21-13(12)14-5-3-7-22(14,17)18/h2,4,6,16-18H,3,5,7H2,1H3
InChIKeyRZVRVPLXUIQLHD-UHFFFAOYSA-N
MW329.33 g/mol
LogP3.05
Rot. Bonds3

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

[2-(1,1-dihydroxy-1,2-thiazolidin-2-yl)-5-(furan-2-yl)-4-hydroxyfuran-3-yl] acetate (PubChem CID 90083552) has the molecular formula C13H15NO7S and a molecular weight of 329.33 g/mol. Its IUPAC name is [2-(1,1-dihydroxy-1,2-thiazolidin-2-yl)-5-(furan-2-yl)-4-hydroxyfuran-3-yl] acetate.

Molecular Properties

Compound Name[2-(1,1-dihydroxy-1,2-thiazolidin-2-yl)-5-(furan-2-yl)-4-hydroxyfuran-3-yl] acetate
PubChem CID90083552
Molecular FormulaC13H15NO7S
Molecular Weight329.33 g/mol
Exact Mass329.06
IUPAC Name[2-(1,1-dihydroxy-1,2-thiazolidin-2-yl)-5-(furan-2-yl)-4-hydroxyfuran-3-yl] acetate
SMILESCC(=O)Oc1c(N2CCCS2(O)O)oc(-c2ccco2)c1O
InChIInChI=1S/C13H15NO7S/c1-8(15)20-12-10(16)11(9-4-2-6-19-9)21-13(12)14-5-3-7-22(14,17)18/h2,4,6,16-18H,3,5,7H2,1H3
InChIKeyRZVRVPLXUIQLHD-UHFFFAOYSA-N
XLogP3.05
TPSA116.51 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.33
LogP ≤ 53.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze [2-(1,1-dihydroxy-1,2-thiazolidin-2-yl)-5-(furan-2-yl)-4-hydroxyfuran-3-yl] acetate 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 [2-(1,1-dihydroxy-1,2-thiazolidin-2-yl)-5-(furan-2-yl)-4-hydroxyfuran-3-yl] acetate?
The IUPAC name of [2-(1,1-dihydroxy-1,2-thiazolidin-2-yl)-5-(furan-2-yl)-4-hydroxyfuran-3-yl] acetate (CID 90083552) is [2-(1,1-dihydroxy-1,2-thiazolidin-2-yl)-5-(furan-2-yl)-4-hydroxyfuran-3-yl] acetate.
What is the SMILES notation for [2-(1,1-dihydroxy-1,2-thiazolidin-2-yl)-5-(furan-2-yl)-4-hydroxyfuran-3-yl] acetate?
The canonical SMILES for [2-(1,1-dihydroxy-1,2-thiazolidin-2-yl)-5-(furan-2-yl)-4-hydroxyfuran-3-yl] acetate is CC(=O)Oc1c(N2CCCS2(O)O)oc(-c2ccco2)c1O.
What is the InChIKey of [2-(1,1-dihydroxy-1,2-thiazolidin-2-yl)-5-(furan-2-yl)-4-hydroxyfuran-3-yl] acetate?
The InChIKey is RZVRVPLXUIQLHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO7S/c1-8(15)20-12-10(16)11(9-4-2-6-19-9)21-13(12)14-5-3-7-22(14,17)18/h2,4,6,16-18H,3,5,7H2,1H3.
What are the key properties of [2-(1,1-dihydroxy-1,2-thiazolidin-2-yl)-5-(furan-2-yl)-4-hydroxyfuran-3-yl] acetate?
[2-(1,1-dihydroxy-1,2-thiazolidin-2-yl)-5-(furan-2-yl)-4-hydroxyfuran-3-yl] acetate has a molecular weight of 329.33 g/mol, XLogP of 3.05, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1,1-dihydroxy-1,2-thiazolidin-2-yl)-5-(furan-2-yl)-4-hydroxyfuran-3-yl] acetate is sourced from PubChem (CID 90083552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).