2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-hydroxyethyl)-1,3-thiazolidin-4-one

C13H15NO4S — CID 3841228

IUPAC2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-hydroxyethyl)-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2ccc3c(c2)OCCO3)N1CCO
InChIInChI=1S/C13H15NO4S/c15-4-3-14-12(16)8-19-13(14)9-1-2-10-11(7-9)18-6-5-17-10/h1-2,7,13,15H,3-6,8H2
InChIKeyRBXMEZZYAQKHGI-UHFFFAOYSA-N
MW281.33 g/mol
LogP1.02
Rot. Bonds3

About 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-hydroxyethyl)-1,3-thiazolidin-4-one

2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-hydroxyethyl)-1,3-thiazolidin-4-one (PubChem CID 3841228) has the molecular formula C13H15NO4S and a molecular weight of 281.33 g/mol. Its IUPAC name is 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-hydroxyethyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-hydroxyethyl)-1,3-thiazolidin-4-one
PubChem CID3841228
Molecular FormulaC13H15NO4S
Molecular Weight281.33 g/mol
Exact Mass281.07
IUPAC Name2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-hydroxyethyl)-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2ccc3c(c2)OCCO3)N1CCO
InChIInChI=1S/C13H15NO4S/c15-4-3-14-12(16)8-19-13(14)9-1-2-10-11(7-9)18-6-5-17-10/h1-2,7,13,15H,3-6,8H2
InChIKeyRBXMEZZYAQKHGI-UHFFFAOYSA-N
XLogP1.02
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-hydroxyethyl)-1,3-thiazolidin-4-one?
The IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-hydroxyethyl)-1,3-thiazolidin-4-one (CID 3841228) is 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-hydroxyethyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-hydroxyethyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-hydroxyethyl)-1,3-thiazolidin-4-one is O=C1CSC(c2ccc3c(c2)OCCO3)N1CCO.
What is the InChIKey of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-hydroxyethyl)-1,3-thiazolidin-4-one?
The InChIKey is RBXMEZZYAQKHGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO4S/c15-4-3-14-12(16)8-19-13(14)9-1-2-10-11(7-9)18-6-5-17-10/h1-2,7,13,15H,3-6,8H2.
What are the key properties of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-hydroxyethyl)-1,3-thiazolidin-4-one?
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-hydroxyethyl)-1,3-thiazolidin-4-one has a molecular weight of 281.33 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-hydroxyethyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 3841228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).