3-[2-(2-ethoxyphenyl)-2-oxoethyl]-1,3-thiazolidine-2,4-dione

C13H13NO4S — CID 62016925

IUPAC3-[2-(2-ethoxyphenyl)-2-oxoethyl]-1,3-thiazolidine-2,4-dione
SMILESCCOc1ccccc1C(=O)CN1C(=O)CSC1=O
InChIInChI=1S/C13H13NO4S/c1-2-18-11-6-4-3-5-9(11)10(15)7-14-12(16)8-19-13(14)17/h3-6H,2,7-8H2,1H3
InChIKeyHAMQNADFFLSLNB-UHFFFAOYSA-N
MW279.32 g/mol
LogP1.96
Rot. Bonds5

About 3-[2-(2-ethoxyphenyl)-2-oxoethyl]-1,3-thiazolidine-2,4-dione

3-[2-(2-ethoxyphenyl)-2-oxoethyl]-1,3-thiazolidine-2,4-dione (PubChem CID 62016925) has the molecular formula C13H13NO4S and a molecular weight of 279.32 g/mol. Its IUPAC name is 3-[2-(2-ethoxyphenyl)-2-oxoethyl]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-(2-ethoxyphenyl)-2-oxoethyl]-1,3-thiazolidine-2,4-dione
PubChem CID62016925
Molecular FormulaC13H13NO4S
Molecular Weight279.32 g/mol
Exact Mass279.06
IUPAC Name3-[2-(2-ethoxyphenyl)-2-oxoethyl]-1,3-thiazolidine-2,4-dione
SMILESCCOc1ccccc1C(=O)CN1C(=O)CSC1=O
InChIInChI=1S/C13H13NO4S/c1-2-18-11-6-4-3-5-9(11)10(15)7-14-12(16)8-19-13(14)17/h3-6H,2,7-8H2,1H3
InChIKeyHAMQNADFFLSLNB-UHFFFAOYSA-N
XLogP1.96
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.32
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

3-[2-(2-ethoxyphenyl)-2-oxoethyl]imidazolidine-2,4-dione
CID 62023536
ethane;1-(2-ethoxyphenyl)propan-1-one
CID 145111899
2-(3,5-dimethylpiperidin-1-yl)-1-(2-ethoxyphenyl)ethanone
CID 43794286
2-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-(4-ethoxyphenyl)acetamide
CID 3155220
1-(2-ethoxyphenyl)-2-(2-ethyl-5-methylpyrrolidin-1-yl)ethanone
CID 83219428
1-[2-(2-ethoxyphenyl)-2-oxoethyl]-3-propylimidazol-2-one
CID 80580045
1-(2-ethoxyphenyl)-2-(4-methoxypiperidin-1-yl)ethanone
CID 43796226
1-[2-(2-ethoxyphenyl)-2-oxoethyl]pyrimidine-2,4-dione
CID 62025394
3-(2-ethoxyphenyl)-3-oxopropanoic acid
CID 170886850
3-[2-(4-iodo-3-phenylmethoxyphenyl)-2-oxoethyl]-1,3-thiazolidine-2,4-dione
CID 154678189
2-(cyclopropylamino)-1-(2-ethoxyphenyl)ethanone
CID 82102218
1-(2-ethoxyphenyl)pentane-1,3-dione
CID 28896176

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-ethoxyphenyl)-2-oxoethyl]-1,3-thiazolidine-2,4-dione?
The IUPAC name of 3-[2-(2-ethoxyphenyl)-2-oxoethyl]-1,3-thiazolidine-2,4-dione (CID 62016925) is 3-[2-(2-ethoxyphenyl)-2-oxoethyl]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 3-[2-(2-ethoxyphenyl)-2-oxoethyl]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 3-[2-(2-ethoxyphenyl)-2-oxoethyl]-1,3-thiazolidine-2,4-dione is CCOc1ccccc1C(=O)CN1C(=O)CSC1=O.
What is the InChIKey of 3-[2-(2-ethoxyphenyl)-2-oxoethyl]-1,3-thiazolidine-2,4-dione?
The InChIKey is HAMQNADFFLSLNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO4S/c1-2-18-11-6-4-3-5-9(11)10(15)7-14-12(16)8-19-13(14)17/h3-6H,2,7-8H2,1H3.
What are the key properties of 3-[2-(2-ethoxyphenyl)-2-oxoethyl]-1,3-thiazolidine-2,4-dione?
3-[2-(2-ethoxyphenyl)-2-oxoethyl]-1,3-thiazolidine-2,4-dione has a molecular weight of 279.32 g/mol, XLogP of 1.96, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-ethoxyphenyl)-2-oxoethyl]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 62016925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).