2-[4-methoxy-3-(pyridin-2-yloxymethyl)phenyl]-1,3-thiazolidine-4-carboxylic acid

C17H18N2O4S — CID 4859673

IUPAC2-[4-methoxy-3-(pyridin-2-yloxymethyl)phenyl]-1,3-thiazolidine-4-carboxylic acid
SMILESCOc1ccc(C2NC(C(=O)O)CS2)cc1COc1ccccn1
InChIInChI=1S/C17H18N2O4S/c1-22-14-6-5-11(16-19-13(10-24-16)17(20)21)8-12(14)9-23-15-4-2-3-7-18-15/h2-8,13,16,19H,9-10H2,1H3,(H,20,21)
InChIKeyXRNYKXLPYIXSFG-UHFFFAOYSA-N
MW346.41 g/mol
LogP2.46
Rot. Bonds6

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

2-[4-methoxy-3-(pyridin-2-yloxymethyl)phenyl]-1,3-thiazolidine-4-carboxylic acid (PubChem CID 4859673) has the molecular formula C17H18N2O4S and a molecular weight of 346.41 g/mol. Its IUPAC name is 2-[4-methoxy-3-(pyridin-2-yloxymethyl)phenyl]-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name2-[4-methoxy-3-(pyridin-2-yloxymethyl)phenyl]-1,3-thiazolidine-4-carboxylic acid
PubChem CID4859673
Molecular FormulaC17H18N2O4S
Molecular Weight346.41 g/mol
Exact Mass346.10
IUPAC Name2-[4-methoxy-3-(pyridin-2-yloxymethyl)phenyl]-1,3-thiazolidine-4-carboxylic acid
SMILESCOc1ccc(C2NC(C(=O)O)CS2)cc1COc1ccccn1
InChIInChI=1S/C17H18N2O4S/c1-22-14-6-5-11(16-19-13(10-24-16)17(20)21)8-12(14)9-23-15-4-2-3-7-18-15/h2-8,13,16,19H,9-10H2,1H3,(H,20,21)
InChIKeyXRNYKXLPYIXSFG-UHFFFAOYSA-N
XLogP2.46
TPSA80.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-[(2,6-dichlorophenoxy)methyl]-4-methoxyphenyl]-1,3-thiazolidine-4-carboxylic acid
CID 19616029
2-[3-[(4-ethylphenoxy)methyl]-4-methoxyphenyl]-1,3-thiazolidine-4-carboxylic acid
CID 19577907
(2S,4R)-2-[4-methoxy-3-[[3-(trifluoromethyl)phenoxy]methyl]phenyl]-1,3-thiazolidine-4-carboxylic acid
CID 51857496
2-(4-methoxy-3-phenylmethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 4037304
(2R,4R)-2-[4-methoxy-3-[(3-nitrophenoxy)methyl]phenyl]-1,3-thiazolidine-4-carboxylic acid
CID 29091895
(4R)-2-(3,4-dimethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 6610558
(2S,4S)-2-(3-hydroxy-4-methoxyphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 854334
(2S,4S)-2-(3-methoxy-4-methylphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 689537
(2S,4R)-2-(3,4-diethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 703230
(4R)-2-[3-(difluoromethoxy)-4-methoxyphenyl]-1,3-thiazolidine-4-carboxylic acid
CID 61147260
2-[3-methoxy-4-(naphthalene-1-carbonyloxy)phenyl]-1,3-thiazolidine-4-carboxylic acid
CID 3841463
(2S,4R)-2-[3-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]-1,3-thiazolidine-4-carboxylic acid
CID 1044854

Frequently Asked Questions

What is the IUPAC name of 2-[4-methoxy-3-(pyridin-2-yloxymethyl)phenyl]-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 2-[4-methoxy-3-(pyridin-2-yloxymethyl)phenyl]-1,3-thiazolidine-4-carboxylic acid (CID 4859673) is 2-[4-methoxy-3-(pyridin-2-yloxymethyl)phenyl]-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 2-[4-methoxy-3-(pyridin-2-yloxymethyl)phenyl]-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 2-[4-methoxy-3-(pyridin-2-yloxymethyl)phenyl]-1,3-thiazolidine-4-carboxylic acid is COc1ccc(C2NC(C(=O)O)CS2)cc1COc1ccccn1.
What is the InChIKey of 2-[4-methoxy-3-(pyridin-2-yloxymethyl)phenyl]-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is XRNYKXLPYIXSFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4S/c1-22-14-6-5-11(16-19-13(10-24-16)17(20)21)8-12(14)9-23-15-4-2-3-7-18-15/h2-8,13,16,19H,9-10H2,1H3,(H,20,21).
What are the key properties of 2-[4-methoxy-3-(pyridin-2-yloxymethyl)phenyl]-1,3-thiazolidine-4-carboxylic acid?
2-[4-methoxy-3-(pyridin-2-yloxymethyl)phenyl]-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 346.41 g/mol, XLogP of 2.46, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methoxy-3-(pyridin-2-yloxymethyl)phenyl]-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 4859673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).