(2S,4S)-2-(4-methoxyphenyl)-1,3-thiazolidine-4-carboxylic acid

C11H13NO3S — CID 728198

IUPAC(2S,4S)-2-(4-methoxyphenyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCOc1ccc([C@H]2N[C@@H](C(=O)O)CS2)cc1
InChIInChI=1S/C11H13NO3S/c1-15-8-4-2-7(3-5-8)10-12-9(6-16-10)11(13)14/h2-5,9-10,12H,6H2,1H3,(H,13,14)/t9-,10+/m1/s1
InChIKeyZQRSXNJVEHLFCE-ZJUUUORDSA-N
MW239.30 g/mol
LogP1.48
Rot. Bonds3

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

(2S,4S)-2-(4-methoxyphenyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 728198) has the molecular formula C11H13NO3S and a molecular weight of 239.30 g/mol. Its IUPAC name is (2S,4S)-2-(4-methoxyphenyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(2S,4S)-2-(4-methoxyphenyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID728198
Molecular FormulaC11H13NO3S
Molecular Weight239.30 g/mol
Exact Mass239.06
IUPAC Name(2S,4S)-2-(4-methoxyphenyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCOc1ccc([C@H]2N[C@@H](C(=O)O)CS2)cc1
InChIInChI=1S/C11H13NO3S/c1-15-8-4-2-7(3-5-8)10-12-9(6-16-10)11(13)14/h2-5,9-10,12H,6H2,1H3,(H,13,14)/t9-,10+/m1/s1
InChIKeyZQRSXNJVEHLFCE-ZJUUUORDSA-N
XLogP1.48
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S,4S)-2-(4-methoxyphenyl)-1,3-thiazolidine-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R,4S)-2-[4-[(2R,4S)-4-carboxy-1,3-thiazolidin-2-yl]phenyl]-1,3-thiazolidine-4-carboxylic acid
CID 694997
(4-methoxyphenyl)-(2-phenyl-1,3-thiazolidin-4-yl)methanone
CID 69035805
(2R,4R)-2-[4-(carboxymethoxy)phenyl]-1,3-thiazolidine-4-carboxylic acid
CID 51390894
(4R)-2-(3,4-dimethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 6610558
(2R,4S)-2-[4-(trifluoromethoxy)phenyl]-1,3-thiazolidine-4-carboxylic acid
CID 7018530
(2S,4S)-2-(4-hydroxy-3-methoxyphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 721363
(2R,4S)-2-(3-hydroxy-4-methoxyphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 854335
(2S,4S)-2-(3-methoxy-4-methylphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 689537
2-(2,4-dimethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 2827730
(2S,4S)-2-(3-hydroxy-4-methoxyphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 854334
(4R)-2-(4-ethylphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 61146631
(4R)-2-(4-acetamidophenyl)-1,3-thiazolidine-4-carboxylic acid
CID 11242572

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-2-(4-methoxyphenyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of (2S,4S)-2-(4-methoxyphenyl)-1,3-thiazolidine-4-carboxylic acid (CID 728198) is (2S,4S)-2-(4-methoxyphenyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for (2S,4S)-2-(4-methoxyphenyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for (2S,4S)-2-(4-methoxyphenyl)-1,3-thiazolidine-4-carboxylic acid is COc1ccc([C@H]2N[C@@H](C(=O)O)CS2)cc1.
What is the InChIKey of (2S,4S)-2-(4-methoxyphenyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is ZQRSXNJVEHLFCE-ZJUUUORDSA-N. The full InChI is InChI=1S/C11H13NO3S/c1-15-8-4-2-7(3-5-8)10-12-9(6-16-10)11(13)14/h2-5,9-10,12H,6H2,1H3,(H,13,14)/t9-,10+/m1/s1.
What are the key properties of (2S,4S)-2-(4-methoxyphenyl)-1,3-thiazolidine-4-carboxylic acid?
(2S,4S)-2-(4-methoxyphenyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 239.30 g/mol, XLogP of 1.48, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-2-(4-methoxyphenyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 728198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).