2-[3-[(4-ethylphenoxy)methyl]-4-methoxyphenyl]-1,3-thiazolidine-4-carboxylic acid

C20H23NO4S — CID 19577907

IUPAC2-[3-[(4-ethylphenoxy)methyl]-4-methoxyphenyl]-1,3-thiazolidine-4-carboxylic acid
SMILESCCc1ccc(OCc2cc(C3NC(C(=O)O)CS3)ccc2OC)cc1
InChIInChI=1S/C20H23NO4S/c1-3-13-4-7-16(8-5-13)25-11-15-10-14(6-9-18(15)24-2)19-21-17(12-26-19)20(22)23/h4-10,17,19,21H,3,11-12H2,1-2H3,(H,22,23)
InChIKeyGDYOKOVELGFYQV-UHFFFAOYSA-N
MW373.47 g/mol
LogP3.62
Rot. Bonds7

About 2-[3-[(4-ethylphenoxy)methyl]-4-methoxyphenyl]-1,3-thiazolidine-4-carboxylic acid

2-[3-[(4-ethylphenoxy)methyl]-4-methoxyphenyl]-1,3-thiazolidine-4-carboxylic acid (PubChem CID 19577907) has the molecular formula C20H23NO4S and a molecular weight of 373.47 g/mol. Its IUPAC name is 2-[3-[(4-ethylphenoxy)methyl]-4-methoxyphenyl]-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name2-[3-[(4-ethylphenoxy)methyl]-4-methoxyphenyl]-1,3-thiazolidine-4-carboxylic acid
PubChem CID19577907
Molecular FormulaC20H23NO4S
Molecular Weight373.47 g/mol
Exact Mass373.13
IUPAC Name2-[3-[(4-ethylphenoxy)methyl]-4-methoxyphenyl]-1,3-thiazolidine-4-carboxylic acid
SMILESCCc1ccc(OCc2cc(C3NC(C(=O)O)CS3)ccc2OC)cc1
InChIInChI=1S/C20H23NO4S/c1-3-13-4-7-16(8-5-13)25-11-15-10-14(6-9-18(15)24-2)19-21-17(12-26-19)20(22)23/h4-10,17,19,21H,3,11-12H2,1-2H3,(H,22,23)
InChIKeyGDYOKOVELGFYQV-UHFFFAOYSA-N
XLogP3.62
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 ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]-1,3-thiazolidine-4-carboxylic acid
CID 17026692
(2S,4R)-2-[4-methoxy-3-[[3-(trifluoromethyl)phenoxy]methyl]phenyl]-1,3-thiazolidine-4-carboxylic acid
CID 51857496
2-[4-methoxy-3-(pyridin-2-yloxymethyl)phenyl]-1,3-thiazolidine-4-carboxylic acid
CID 4859673
2-[3-[(2,6-dichlorophenoxy)methyl]-4-methoxyphenyl]-1,3-thiazolidine-4-carboxylic acid
CID 19616029
(2R,4R)-2-[4-methoxy-3-[(3-nitrophenoxy)methyl]phenyl]-1,3-thiazolidine-4-carboxylic acid
CID 29091895
(4R)-2-(4-ethylphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 61146631
(4R)-2-(3,4-dimethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 6610558
2-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]-1,3-thiazolidine-4-carboxylic acid
CID 3155743
2-(4-methoxy-3-phenylmethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 4037304
(2R,4S)-2-(3-hydroxy-4-methoxyphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 854335
(2S,4S)-2-(3-hydroxy-4-methoxyphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 854334
(2R,4R)-2-[4-methoxy-3-[(5-methoxycarbonylfuran-2-yl)methoxy]phenyl]-1,3-thiazolidine-4-carboxylic acid
CID 7308785

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(4-ethylphenoxy)methyl]-4-methoxyphenyl]-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 2-[3-[(4-ethylphenoxy)methyl]-4-methoxyphenyl]-1,3-thiazolidine-4-carboxylic acid (CID 19577907) is 2-[3-[(4-ethylphenoxy)methyl]-4-methoxyphenyl]-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 2-[3-[(4-ethylphenoxy)methyl]-4-methoxyphenyl]-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 2-[3-[(4-ethylphenoxy)methyl]-4-methoxyphenyl]-1,3-thiazolidine-4-carboxylic acid is CCc1ccc(OCc2cc(C3NC(C(=O)O)CS3)ccc2OC)cc1.
What is the InChIKey of 2-[3-[(4-ethylphenoxy)methyl]-4-methoxyphenyl]-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is GDYOKOVELGFYQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO4S/c1-3-13-4-7-16(8-5-13)25-11-15-10-14(6-9-18(15)24-2)19-21-17(12-26-19)20(22)23/h4-10,17,19,21H,3,11-12H2,1-2H3,(H,22,23).
What are the key properties of 2-[3-[(4-ethylphenoxy)methyl]-4-methoxyphenyl]-1,3-thiazolidine-4-carboxylic acid?
2-[3-[(4-ethylphenoxy)methyl]-4-methoxyphenyl]-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 373.47 g/mol, XLogP of 3.62, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(4-ethylphenoxy)methyl]-4-methoxyphenyl]-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 19577907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).