2-(4-methoxy-3-phenylmethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid

C18H19NO4S — CID 4037304

IUPAC2-(4-methoxy-3-phenylmethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCOc1ccc(C2NC(C(=O)O)CS2)cc1OCc1ccccc1
InChIInChI=1S/C18H19NO4S/c1-22-15-8-7-13(17-19-14(11-24-17)18(20)21)9-16(15)23-10-12-5-3-2-4-6-12/h2-9,14,17,19H,10-11H2,1H3,(H,20,21)
InChIKeyXHCGRPFEPLDYNU-UHFFFAOYSA-N
MW345.42 g/mol
LogP3.06
Rot. Bonds6

About 2-(4-methoxy-3-phenylmethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid

2-(4-methoxy-3-phenylmethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 4037304) has the molecular formula C18H19NO4S and a molecular weight of 345.42 g/mol. Its IUPAC name is 2-(4-methoxy-3-phenylmethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name2-(4-methoxy-3-phenylmethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID4037304
Molecular FormulaC18H19NO4S
Molecular Weight345.42 g/mol
Exact Mass345.10
IUPAC Name2-(4-methoxy-3-phenylmethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCOc1ccc(C2NC(C(=O)O)CS2)cc1OCc1ccccc1
InChIInChI=1S/C18H19NO4S/c1-22-15-8-7-13(17-19-14(11-24-17)18(20)21)9-16(15)23-10-12-5-3-2-4-6-12/h2-9,14,17,19H,10-11H2,1H3,(H,20,21)
InChIKeyXHCGRPFEPLDYNU-UHFFFAOYSA-N
XLogP3.06
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]-1,3-thiazolidine-4-carboxylic acid
CID 3155743
(4R)-2-(3,4-dimethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 6610558
(2R,4R)-2-[4-methoxy-3-[(5-methoxycarbonylfuran-2-yl)methoxy]phenyl]-1,3-thiazolidine-4-carboxylic acid
CID 7308785
(2R,4R)-2-[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]-1,3-thiazolidine-4-carboxylic acid
CID 1044863
(2S,4R)-2-(3,4-diethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 703230
(4R)-2-(2-phenylmethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 22827572
(2R,4S)-2-(3-hydroxy-4-methoxyphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 854335
(2S,4S)-2-(4-hydroxy-3-methoxyphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 721363
(2S,4S)-2-(3-hydroxy-4-methoxyphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 854334
(4R)-2-[3-(difluoromethoxy)-4-methoxyphenyl]-1,3-thiazolidine-4-carboxylic acid
CID 61147260
2-[4-methoxy-3-(pyridin-2-yloxymethyl)phenyl]-1,3-thiazolidine-4-carboxylic acid
CID 4859673
(2S,4S)-2-[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]-1,3-thiazolidine-4-carboxylic acid
CID 1088908

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-3-phenylmethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 2-(4-methoxy-3-phenylmethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid (CID 4037304) is 2-(4-methoxy-3-phenylmethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 2-(4-methoxy-3-phenylmethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 2-(4-methoxy-3-phenylmethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid is COc1ccc(C2NC(C(=O)O)CS2)cc1OCc1ccccc1.
What is the InChIKey of 2-(4-methoxy-3-phenylmethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is XHCGRPFEPLDYNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO4S/c1-22-15-8-7-13(17-19-14(11-24-17)18(20)21)9-16(15)23-10-12-5-3-2-4-6-12/h2-9,14,17,19H,10-11H2,1H3,(H,20,21).
What are the key properties of 2-(4-methoxy-3-phenylmethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid?
2-(4-methoxy-3-phenylmethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 345.42 g/mol, XLogP of 3.06, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-3-phenylmethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 4037304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).