2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid

C13H17NO5S — CID 19576217

IUPAC2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCOc1cc(OC)c(C2NC(C(=O)O)CS2)cc1OC
InChIInChI=1S/C13H17NO5S/c1-17-9-5-11(19-3)10(18-2)4-7(9)12-14-8(6-20-12)13(15)16/h4-5,8,12,14H,6H2,1-3H3,(H,15,16)
InChIKeyAHSDXQPOASYLGD-UHFFFAOYSA-N
MW299.35 g/mol
LogP1.50
Rot. Bonds5

About 2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid

2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 19576217) has the molecular formula C13H17NO5S and a molecular weight of 299.35 g/mol. Its IUPAC name is 2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID19576217
Molecular FormulaC13H17NO5S
Molecular Weight299.35 g/mol
Exact Mass299.08
IUPAC Name2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCOc1cc(OC)c(C2NC(C(=O)O)CS2)cc1OC
InChIInChI=1S/C13H17NO5S/c1-17-9-5-11(19-3)10(18-2)4-7(9)12-14-8(6-20-12)13(15)16/h4-5,8,12,14H,6H2,1-3H3,(H,15,16)
InChIKeyAHSDXQPOASYLGD-UHFFFAOYSA-N
XLogP1.50
TPSA77.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid (CID 19576217) is 2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid is COc1cc(OC)c(C2NC(C(=O)O)CS2)cc1OC.
What is the InChIKey of 2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is AHSDXQPOASYLGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO5S/c1-17-9-5-11(19-3)10(18-2)4-7(9)12-14-8(6-20-12)13(15)16/h4-5,8,12,14H,6H2,1-3H3,(H,15,16).
What are the key properties of 2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid?
2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 299.35 g/mol, XLogP of 1.50, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 19576217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).