2-[3-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]-1,3-thiazolidine-4-carboxylic acid

C20H23NO4S — CID 3155746

IUPAC2-[3-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]-1,3-thiazolidine-4-carboxylic acid
SMILESCCOc1cc(C2NC(C(=O)O)CS2)ccc1OCc1cccc(C)c1
InChIInChI=1S/C20H23NO4S/c1-3-24-18-10-15(19-21-16(12-26-19)20(22)23)7-8-17(18)25-11-14-6-4-5-13(2)9-14/h4-10,16,19,21H,3,11-12H2,1-2H3,(H,22,23)
InChIKeyWGTNRVFHDJIHAW-UHFFFAOYSA-N
MW373.47 g/mol
LogP3.76
Rot. Bonds7

About 2-[3-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]-1,3-thiazolidine-4-carboxylic acid

2-[3-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]-1,3-thiazolidine-4-carboxylic acid (PubChem CID 3155746) has the molecular formula C20H23NO4S and a molecular weight of 373.47 g/mol. Its IUPAC name is 2-[3-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name2-[3-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]-1,3-thiazolidine-4-carboxylic acid
PubChem CID3155746
Molecular FormulaC20H23NO4S
Molecular Weight373.47 g/mol
Exact Mass373.13
IUPAC Name2-[3-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]-1,3-thiazolidine-4-carboxylic acid
SMILESCCOc1cc(C2NC(C(=O)O)CS2)ccc1OCc1cccc(C)c1
InChIInChI=1S/C20H23NO4S/c1-3-24-18-10-15(19-21-16(12-26-19)20(22)23)7-8-17(18)25-11-14-6-4-5-13(2)9-14/h4-10,16,19,21H,3,11-12H2,1-2H3,(H,22,23)
InChIKeyWGTNRVFHDJIHAW-UHFFFAOYSA-N
XLogP3.76
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.47
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1,3-Benzodioxol-5-yl)-4-thiazolidinecarboxylic acid
CID 2756583
2-{4-Methoxy-3-[(2,2,2-trifluoroethoxy)methyl]phenyl}-1,3-thiazolidine-4-carboxylic acid
CID 3242869
2-(3,4-Dimethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 327596
2-(3-Ethoxy-4-hydroxyphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 2787980
2-{4-[(2-Cyanobenzyl)oxy]-3-methoxyphenyl}-1,3-thiazolidine-4-carboxylic acid
CID 3243800
2-[4-(2-Ethoxy-2-oxoethoxy)phenyl]-1,3-thiazolidine-4-carboxylic acid
CID 3245693
3-Acetyl-2-(3,4-dimethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 5309548
2-[4-(3-Piperidin-1-ylpropoxy)phenyl]-1,3-thiazolidine-4-carboxylic acid
CID 46880387
Methyl 2-[4-(3-piperidin-1-ylpropoxy)phenyl]-1,3-thiazolidine-4-carboxylate;oxalic acid
CID 49859944
2-{4-[(4-Fluorobenzyl)oxy]phenyl}-1,3-thiazolidine-4-carboxylic acid
CID 573377
2-(4-Hydroxy-3-methoxyphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 2787098
2-{4-[(3-Fluorobenzyl)oxy]phenyl}-1,3-thiazolidine-4-carboxylic acid
CID 3490410

Frequently Asked Questions

What is the IUPAC name of 2-[3-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 2-[3-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]-1,3-thiazolidine-4-carboxylic acid (CID 3155746) is 2-[3-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 2-[3-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 2-[3-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]-1,3-thiazolidine-4-carboxylic acid is CCOc1cc(C2NC(C(=O)O)CS2)ccc1OCc1cccc(C)c1.
What is the InChIKey of 2-[3-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is WGTNRVFHDJIHAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO4S/c1-3-24-18-10-15(19-21-16(12-26-19)20(22)23)7-8-17(18)25-11-14-6-4-5-13(2)9-14/h4-10,16,19,21H,3,11-12H2,1-2H3,(H,22,23).
What are the key properties of 2-[3-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]-1,3-thiazolidine-4-carboxylic acid?
2-[3-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 373.47 g/mol, XLogP of 3.76, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 3155746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).