ethyl 3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-1,3-thiazolidin-3-yl]propanoate

C16H19NO5S — CID 3801896

IUPACethyl 3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-1,3-thiazolidin-3-yl]propanoate
SMILESCCOC(=O)CCN1C(=O)CSC1c1ccc2c(c1)OCCO2
InChIInChI=1S/C16H19NO5S/c1-2-20-15(19)5-6-17-14(18)10-23-16(17)11-3-4-12-13(9-11)22-8-7-21-12/h3-4,9,16H,2,5-8,10H2,1H3
InChIKeyUGRDQOUCXPJQTL-UHFFFAOYSA-N
MW337.40 g/mol
LogP1.99
Rot. Bonds5

About ethyl 3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-1,3-thiazolidin-3-yl]propanoate

ethyl 3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-1,3-thiazolidin-3-yl]propanoate (PubChem CID 3801896) has the molecular formula C16H19NO5S and a molecular weight of 337.40 g/mol. Its IUPAC name is ethyl 3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-1,3-thiazolidin-3-yl]propanoate.

Molecular Properties

Compound Nameethyl 3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-1,3-thiazolidin-3-yl]propanoate
PubChem CID3801896
Molecular FormulaC16H19NO5S
Molecular Weight337.40 g/mol
Exact Mass337.10
IUPAC Nameethyl 3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-1,3-thiazolidin-3-yl]propanoate
SMILESCCOC(=O)CCN1C(=O)CSC1c1ccc2c(c1)OCCO2
InChIInChI=1S/C16H19NO5S/c1-2-20-15(19)5-6-17-14(18)10-23-16(17)11-3-4-12-13(9-11)22-8-7-21-12/h3-4,9,16H,2,5-8,10H2,1H3
InChIKeyUGRDQOUCXPJQTL-UHFFFAOYSA-N
XLogP1.99
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-1,3-thiazolidin-3-yl]propanoate with MolForge

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Related Compounds

2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-hydroxyethyl)-1,3-thiazolidin-4-one
CID 3841228
ethyl 3-[2-(3,5-dimethoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]propanoate
CID 3290194
3-[2-(1,3-benzodioxol-5-yl)ethyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazolidin-4-one
CID 3804922
4-[2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-N-propan-2-ylpiperazine-1-carboxamide
CID 42814747
3-butyl-2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazolidin-4-one
CID 3718539
2-[2-(1,3-benzodioxol-5-yl)-4-oxo-1,3-thiazolidin-3-yl]ethyl-diethyl-methylazanium iodide
CID 134108977
ethyl 4-[4-oxo-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]butanoate
CID 3867156
2-(2,3-dihydro-1-benzofuran-5-yl)-3-(3-propoxypropyl)-1,3-thiazolidin-4-one
CID 3697497
methyl 3-[2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]propanoate
CID 3402208
2-(1,3-benzodioxol-5-yl)-3-(2-piperidin-1-ium-1-ylethyl)-1,3-thiazolidin-4-one
CID 3692735
3-[2-(2,3-dihydro-1-benzofuran-5-yl)-4-oxo-1,3-thiazolidin-3-yl]propanenitrile
CID 5146892
ethyl 2-[5-[2-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]tetrazol-1-yl]acetate
CID 42612392

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-1,3-thiazolidin-3-yl]propanoate?
The IUPAC name of ethyl 3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-1,3-thiazolidin-3-yl]propanoate (CID 3801896) is ethyl 3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-1,3-thiazolidin-3-yl]propanoate.
What is the SMILES notation for ethyl 3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-1,3-thiazolidin-3-yl]propanoate?
The canonical SMILES for ethyl 3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-1,3-thiazolidin-3-yl]propanoate is CCOC(=O)CCN1C(=O)CSC1c1ccc2c(c1)OCCO2.
What is the InChIKey of ethyl 3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-1,3-thiazolidin-3-yl]propanoate?
The InChIKey is UGRDQOUCXPJQTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO5S/c1-2-20-15(19)5-6-17-14(18)10-23-16(17)11-3-4-12-13(9-11)22-8-7-21-12/h3-4,9,16H,2,5-8,10H2,1H3.
What are the key properties of ethyl 3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-1,3-thiazolidin-3-yl]propanoate?
ethyl 3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-1,3-thiazolidin-3-yl]propanoate has a molecular weight of 337.40 g/mol, XLogP of 1.99, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-1,3-thiazolidin-3-yl]propanoate is sourced from PubChem (CID 3801896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).