2-(3-ethoxy-4-hydroxyphenyl)-1,3-thiazolidine-4-carboxylic acid

C12H15NO4S — CID 2787980

IUPAC2-(3-ethoxy-4-hydroxyphenyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCCOc1cc(C2NC(C(=O)O)CS2)ccc1O
InChIInChI=1S/C12H15NO4S/c1-2-17-10-5-7(3-4-9(10)14)11-13-8(6-18-11)12(15)16/h3-5,8,11,13-14H,2,6H2,1H3,(H,15,16)
InChIKeyPRFUSBXPZKOGMR-UHFFFAOYSA-N
MW269.32 g/mol
LogP1.58
Rot. Bonds4

About 2-(3-ethoxy-4-hydroxyphenyl)-1,3-thiazolidine-4-carboxylic acid

2-(3-ethoxy-4-hydroxyphenyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 2787980) has the molecular formula C12H15NO4S and a molecular weight of 269.32 g/mol. Its IUPAC name is 2-(3-ethoxy-4-hydroxyphenyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name2-(3-ethoxy-4-hydroxyphenyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID2787980
Molecular FormulaC12H15NO4S
Molecular Weight269.32 g/mol
Exact Mass269.07
IUPAC Name2-(3-ethoxy-4-hydroxyphenyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCCOc1cc(C2NC(C(=O)O)CS2)ccc1O
InChIInChI=1S/C12H15NO4S/c1-2-17-10-5-7(3-4-9(10)14)11-13-8(6-18-11)12(15)16/h3-5,8,11,13-14H,2,6H2,1H3,(H,15,16)
InChIKeyPRFUSBXPZKOGMR-UHFFFAOYSA-N
XLogP1.58
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxy-4-hydroxyphenyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 2-(3-ethoxy-4-hydroxyphenyl)-1,3-thiazolidine-4-carboxylic acid (CID 2787980) is 2-(3-ethoxy-4-hydroxyphenyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 2-(3-ethoxy-4-hydroxyphenyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 2-(3-ethoxy-4-hydroxyphenyl)-1,3-thiazolidine-4-carboxylic acid is CCOc1cc(C2NC(C(=O)O)CS2)ccc1O.
What is the InChIKey of 2-(3-ethoxy-4-hydroxyphenyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is PRFUSBXPZKOGMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4S/c1-2-17-10-5-7(3-4-9(10)14)11-13-8(6-18-11)12(15)16/h3-5,8,11,13-14H,2,6H2,1H3,(H,15,16).
What are the key properties of 2-(3-ethoxy-4-hydroxyphenyl)-1,3-thiazolidine-4-carboxylic acid?
2-(3-ethoxy-4-hydroxyphenyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 269.32 g/mol, XLogP of 1.58, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxy-4-hydroxyphenyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 2787980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).