2-(2,4-dimethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid

C12H15NO4S — CID 2827730

IUPAC2-(2,4-dimethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCOc1ccc(C2NC(C(=O)O)CS2)c(OC)c1
InChIInChI=1S/C12H15NO4S/c1-16-7-3-4-8(10(5-7)17-2)11-13-9(6-18-11)12(14)15/h3-5,9,11,13H,6H2,1-2H3,(H,14,15)
InChIKeyGXPHSEXJDZAWQX-UHFFFAOYSA-N
MW269.32 g/mol
LogP1.49
Rot. Bonds4

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

2-(2,4-dimethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 2827730) has the molecular formula C12H15NO4S and a molecular weight of 269.32 g/mol. Its IUPAC name is 2-(2,4-dimethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name2-(2,4-dimethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID2827730
Molecular FormulaC12H15NO4S
Molecular Weight269.32 g/mol
Exact Mass269.07
IUPAC Name2-(2,4-dimethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCOc1ccc(C2NC(C(=O)O)CS2)c(OC)c1
InChIInChI=1S/C12H15NO4S/c1-16-7-3-4-8(10(5-7)17-2)11-13-9(6-18-11)12(14)15/h3-5,9,11,13H,6H2,1-2H3,(H,14,15)
InChIKeyGXPHSEXJDZAWQX-UHFFFAOYSA-N
XLogP1.49
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 19576217
(2S,4S)-2-(4-methoxyphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 728198
(2S,4S)-2-(3-methoxy-4-methylphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 689537
(4R)-2-(3,4-dimethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 6610558
(2R,4S)-2-(3-hydroxy-4-methoxyphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 854335
(2S,4S)-2-(4-hydroxy-3-methoxyphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 721363
(2S,4S)-2-(3-hydroxy-4-methoxyphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 854334
2-(5-bromo-2-hydroxy-3-methoxyphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 53270150
2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1,3-thiazolidine-4-carboxylic acid
CID 115349879
(2S,4S)-2-(2,4-dimethylphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 40574393
(4R)-2-[3-(difluoromethoxy)-4-methoxyphenyl]-1,3-thiazolidine-4-carboxylic acid
CID 61147260
(4S)-2-(2-propan-2-yloxyphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 43831490

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 2-(2,4-dimethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid (CID 2827730) is 2-(2,4-dimethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 2-(2,4-dimethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 2-(2,4-dimethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid is COc1ccc(C2NC(C(=O)O)CS2)c(OC)c1.
What is the InChIKey of 2-(2,4-dimethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is GXPHSEXJDZAWQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4S/c1-16-7-3-4-8(10(5-7)17-2)11-13-9(6-18-11)12(14)15/h3-5,9,11,13H,6H2,1-2H3,(H,14,15).
What are the key properties of 2-(2,4-dimethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid?
2-(2,4-dimethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 269.32 g/mol, XLogP of 1.49, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 2827730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).