[2-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-hydroxy-5-(1,3-thiazol-2-yl)furan-3-yl] acetate

C12H12N2O6S2 — CID 136501265

IUPAC[2-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-hydroxy-5-(1,3-thiazol-2-yl)furan-3-yl] acetate
SMILESCC(=O)Oc1c(N2CCCS2(=O)=O)oc(-c2nccs2)c1O
InChIInChI=1S/C12H12N2O6S2/c1-7(15)19-10-8(16)9(11-13-3-5-21-11)20-12(10)14-4-2-6-22(14,17)18/h3,5,16H,2,4,6H2,1H3
InChIKeyKYAYAQKCLUMJFM-UHFFFAOYSA-N
MW344.37 g/mol
LogP1.57
Rot. Bonds3

About [2-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-hydroxy-5-(1,3-thiazol-2-yl)furan-3-yl] acetate

[2-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-hydroxy-5-(1,3-thiazol-2-yl)furan-3-yl] acetate (PubChem CID 136501265) has the molecular formula C12H12N2O6S2 and a molecular weight of 344.37 g/mol. Its IUPAC name is [2-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-hydroxy-5-(1,3-thiazol-2-yl)furan-3-yl] acetate.

Molecular Properties

Compound Name[2-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-hydroxy-5-(1,3-thiazol-2-yl)furan-3-yl] acetate
PubChem CID136501265
Molecular FormulaC12H12N2O6S2
Molecular Weight344.37 g/mol
Exact Mass344.01
IUPAC Name[2-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-hydroxy-5-(1,3-thiazol-2-yl)furan-3-yl] acetate
SMILESCC(=O)Oc1c(N2CCCS2(=O)=O)oc(-c2nccs2)c1O
InChIInChI=1S/C12H12N2O6S2/c1-7(15)19-10-8(16)9(11-13-3-5-21-11)20-12(10)14-4-2-6-22(14,17)18/h3,5,16H,2,4,6H2,1H3
InChIKeyKYAYAQKCLUMJFM-UHFFFAOYSA-N
XLogP1.57
TPSA109.94 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [2-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-hydroxy-5-(1,3-thiazol-2-yl)furan-3-yl] acetate?
The IUPAC name of [2-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-hydroxy-5-(1,3-thiazol-2-yl)furan-3-yl] acetate (CID 136501265) is [2-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-hydroxy-5-(1,3-thiazol-2-yl)furan-3-yl] acetate.
What is the SMILES notation for [2-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-hydroxy-5-(1,3-thiazol-2-yl)furan-3-yl] acetate?
The canonical SMILES for [2-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-hydroxy-5-(1,3-thiazol-2-yl)furan-3-yl] acetate is CC(=O)Oc1c(N2CCCS2(=O)=O)oc(-c2nccs2)c1O.
What is the InChIKey of [2-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-hydroxy-5-(1,3-thiazol-2-yl)furan-3-yl] acetate?
The InChIKey is KYAYAQKCLUMJFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O6S2/c1-7(15)19-10-8(16)9(11-13-3-5-21-11)20-12(10)14-4-2-6-22(14,17)18/h3,5,16H,2,4,6H2,1H3.
What are the key properties of [2-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-hydroxy-5-(1,3-thiazol-2-yl)furan-3-yl] acetate?
[2-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-hydroxy-5-(1,3-thiazol-2-yl)furan-3-yl] acetate has a molecular weight of 344.37 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-hydroxy-5-(1,3-thiazol-2-yl)furan-3-yl] acetate is sourced from PubChem (CID 136501265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).