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

C18H19NO3S — CID 141031782

IUPAC3-benzyl-2-(4-methoxyphenyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCOc1ccc(C2SCC(C(=O)O)N2Cc2ccccc2)cc1
InChIInChI=1S/C18H19NO3S/c1-22-15-9-7-14(8-10-15)17-19(16(12-23-17)18(20)21)11-13-5-3-2-4-6-13/h2-10,16-17H,11-12H2,1H3,(H,20,21)
InChIKeyMFFLCYLLUZKUSY-UHFFFAOYSA-N
MW329.42 g/mol
LogP3.40
Rot. Bonds5

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

3-benzyl-2-(4-methoxyphenyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 141031782) has the molecular formula C18H19NO3S and a molecular weight of 329.42 g/mol. Its IUPAC name is 3-benzyl-2-(4-methoxyphenyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-benzyl-2-(4-methoxyphenyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID141031782
Molecular FormulaC18H19NO3S
Molecular Weight329.42 g/mol
Exact Mass329.11
IUPAC Name3-benzyl-2-(4-methoxyphenyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCOc1ccc(C2SCC(C(=O)O)N2Cc2ccccc2)cc1
InChIInChI=1S/C18H19NO3S/c1-22-15-9-7-14(8-10-15)17-19(16(12-23-17)18(20)21)11-13-5-3-2-4-6-13/h2-10,16-17H,11-12H2,1H3,(H,20,21)
InChIKeyMFFLCYLLUZKUSY-UHFFFAOYSA-N
XLogP3.40
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-chlorophenyl)-3-[(4-methoxyphenyl)methyl]-1,3-thiazolidine-4-carboxylic acid
CID 3999349
2-(3-chlorophenyl)-3-[(3,4-dimethoxyphenyl)methyl]-1,3-thiazolidine-4-carboxylic acid
CID 4224474
(4R)-2-(4-methoxyphenyl)-3-[(2S)-2-methyl-3-sulfanylpropanoyl]-1,3-thiazolidine-4-carboxylic acid
CID 12915769
2-(4-phenylmethoxyphenyl)-3-propanoyl-1,3-thiazolidine-4-carboxylic acid
CID 42728839
ethyl (2S,3R)-1-benzyl-3-(4-methoxyphenyl)aziridine-2-carboxylate
CID 101067614
(2R)-2-(4-chlorophenyl)-3-[[3-[(5-methyl-1,3-oxazol-4-yl)-(2-methylphenyl)methoxy]phenyl]methyl]-1,3-thiazolidine-4-carboxylic acid
CID 69172110
3-(3-chloropropanoyl)-2-(4-phenylmethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 42728854
(2R)-1-[(4-methoxyphenyl)methyl]piperidine-2-carboxylic acid
CID 7048458
(4R)-3-(3-acetylsulfanyl-2-methylpropanoyl)-2-(4-methoxyphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 163629677
3-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-2-(3,4-dihydroxyphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 3627217
(2R,4S)-1-benzyl-4-methoxycarbonylazetidine-2-carboxylic acid
CID 69447000
2-(3-chlorophenyl)-3-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-1,3-thiazolidine-4-carboxylic acid
CID 4308785

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-2-(4-methoxyphenyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 3-benzyl-2-(4-methoxyphenyl)-1,3-thiazolidine-4-carboxylic acid (CID 141031782) is 3-benzyl-2-(4-methoxyphenyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 3-benzyl-2-(4-methoxyphenyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 3-benzyl-2-(4-methoxyphenyl)-1,3-thiazolidine-4-carboxylic acid is COc1ccc(C2SCC(C(=O)O)N2Cc2ccccc2)cc1.
What is the InChIKey of 3-benzyl-2-(4-methoxyphenyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is MFFLCYLLUZKUSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3S/c1-22-15-9-7-14(8-10-15)17-19(16(12-23-17)18(20)21)11-13-5-3-2-4-6-13/h2-10,16-17H,11-12H2,1H3,(H,20,21).
What are the key properties of 3-benzyl-2-(4-methoxyphenyl)-1,3-thiazolidine-4-carboxylic acid?
3-benzyl-2-(4-methoxyphenyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 329.42 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-2-(4-methoxyphenyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 141031782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).