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

C12H14N2O6S2 — CID 136501266

IUPAC[2-(1,1-dihydroxy-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/C12H14N2O6S2/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/h3,5,16-18H,2,4,6H2,1H3
InChIKeyUNBKKBSSEFJKEU-UHFFFAOYSA-N
MW346.39 g/mol
LogP2.91
Rot. Bonds3

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

[2-(1,1-dihydroxy-1,2-thiazolidin-2-yl)-4-hydroxy-5-(1,3-thiazol-2-yl)furan-3-yl] acetate (PubChem CID 136501266) has the molecular formula C12H14N2O6S2 and a molecular weight of 346.39 g/mol. Its IUPAC name is [2-(1,1-dihydroxy-1,2-thiazolidin-2-yl)-4-hydroxy-5-(1,3-thiazol-2-yl)furan-3-yl] acetate.

Molecular Properties

Compound Name[2-(1,1-dihydroxy-1,2-thiazolidin-2-yl)-4-hydroxy-5-(1,3-thiazol-2-yl)furan-3-yl] acetate
PubChem CID136501266
Molecular FormulaC12H14N2O6S2
Molecular Weight346.39 g/mol
Exact Mass346.03
IUPAC Name[2-(1,1-dihydroxy-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/C12H14N2O6S2/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/h3,5,16-18H,2,4,6H2,1H3
InChIKeyUNBKKBSSEFJKEU-UHFFFAOYSA-N
XLogP2.91
TPSA116.26 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 52.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Related Compounds

[2-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-hydroxy-5-(1,3-thiazol-2-yl)furan-3-yl] acetate
CID 136501265
[2-(1,1-dihydroxy-1,2-thiazolidin-2-yl)-5-(furan-2-yl)-4-hydroxyfuran-3-yl] acetate
CID 90083552
[5-(2,4-difluorophenyl)-2-(1,1-dihydroxy-1,2-thiazolidin-2-yl)-4-hydroxyfuran-3-yl] acetate
CID 90083647
[5-(3,4-dimethoxyphenyl)-2-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-hydroxyfuran-3-yl] acetate
CID 90083669
3-(1,3-thiazol-2-yl)-1,2-oxazole-5-carboxylic acid
CID 100950298
[5-(2,5-dichlorophenyl)-2-(2,5-dioxopyrrolidin-1-yl)-4-hydroxyfuran-3-yl] acetate
CID 90081039
6-(cyclopropylmethoxy)-5-(1,1-dihydroxy-1,2-thiazolidin-2-yl)-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pyridine-2-carboxamide
CID 71087416
1-[(3S)-3-[[6-(1,3-thiazol-2-yl)pyrimidin-4-yl]methyl]pyrrolidin-1-yl]ethanone
CID 125009942
(4-methylpiperazin-1-yl)-(1,3-thiazol-2-yl)methanone
CID 110695913
CID 69459233
CID 69459233
1-[(3S)-3-[[6-(1,3-thiazol-2-yl)-2-pyridinyl]methyl]pyrrolidin-1-yl]ethanone
CID 125014137
1-methyl-4-(1,3-thiazol-2-yl)imidazole-2-carbaldehyde
CID 89487203

Frequently Asked Questions

What is the IUPAC name of [2-(1,1-dihydroxy-1,2-thiazolidin-2-yl)-4-hydroxy-5-(1,3-thiazol-2-yl)furan-3-yl] acetate?
The IUPAC name of [2-(1,1-dihydroxy-1,2-thiazolidin-2-yl)-4-hydroxy-5-(1,3-thiazol-2-yl)furan-3-yl] acetate (CID 136501266) is [2-(1,1-dihydroxy-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-dihydroxy-1,2-thiazolidin-2-yl)-4-hydroxy-5-(1,3-thiazol-2-yl)furan-3-yl] acetate?
The canonical SMILES for [2-(1,1-dihydroxy-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-dihydroxy-1,2-thiazolidin-2-yl)-4-hydroxy-5-(1,3-thiazol-2-yl)furan-3-yl] acetate?
The InChIKey is UNBKKBSSEFJKEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O6S2/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/h3,5,16-18H,2,4,6H2,1H3.
What are the key properties of [2-(1,1-dihydroxy-1,2-thiazolidin-2-yl)-4-hydroxy-5-(1,3-thiazol-2-yl)furan-3-yl] acetate?
[2-(1,1-dihydroxy-1,2-thiazolidin-2-yl)-4-hydroxy-5-(1,3-thiazol-2-yl)furan-3-yl] acetate has a molecular weight of 346.39 g/mol, XLogP of 2.91, 3 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1,1-dihydroxy-1,2-thiazolidin-2-yl)-4-hydroxy-5-(1,3-thiazol-2-yl)furan-3-yl] acetate is sourced from PubChem (CID 136501266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).