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

C23H25NO5S — CID 42729298

IUPAC3-(cyclobutanecarbonyl)-2-(3-methoxy-4-phenylmethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCOc1cc(C2SCC(C(=O)O)N2C(=O)C2CCC2)ccc1OCc1ccccc1
InChIInChI=1S/C23H25NO5S/c1-28-20-12-17(10-11-19(20)29-13-15-6-3-2-4-7-15)22-24(18(14-30-22)23(26)27)21(25)16-8-5-9-16/h2-4,6-7,10-12,16,18,22H,5,8-9,13-14H2,1H3,(H,26,27)
InChIKeyRFQJCEGGJUQILW-UHFFFAOYSA-N
MW427.52 g/mol
LogP4.10
Rot. Bonds7

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

3-(cyclobutanecarbonyl)-2-(3-methoxy-4-phenylmethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 42729298) has the molecular formula C23H25NO5S and a molecular weight of 427.52 g/mol. Its IUPAC name is 3-(cyclobutanecarbonyl)-2-(3-methoxy-4-phenylmethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-(cyclobutanecarbonyl)-2-(3-methoxy-4-phenylmethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID42729298
Molecular FormulaC23H25NO5S
Molecular Weight427.52 g/mol
Exact Mass427.15
IUPAC Name3-(cyclobutanecarbonyl)-2-(3-methoxy-4-phenylmethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCOc1cc(C2SCC(C(=O)O)N2C(=O)C2CCC2)ccc1OCc1ccccc1
InChIInChI=1S/C23H25NO5S/c1-28-20-12-17(10-11-19(20)29-13-15-6-3-2-4-7-15)22-24(18(14-30-22)23(26)27)21(25)16-8-5-9-16/h2-4,6-7,10-12,16,18,22H,5,8-9,13-14H2,1H3,(H,26,27)
InChIKeyRFQJCEGGJUQILW-UHFFFAOYSA-N
XLogP4.10
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.52
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(cyclobutanecarbonyl)-2-(3-methoxy-4-phenylmethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-methoxy-4-phenylmethoxyphenyl)-3-(2-phenylmethoxyacetyl)-1,3-thiazolidine-4-carboxylic acid
CID 42729302
3-(3,3-dimethylbutanoyl)-2-(3-methoxy-4-phenylmethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 42729292
(2S,4S)-3-(cyclohexanecarbonyl)-2-(3,4-dimethoxyphenyl)-1,3-thiazolidine-4-carboxylate
CID 7430050
(2S,4S)-3-acetyl-2-(3,4-dimethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 7231223
methyl 3-(cyclobutanecarbonyl)-2-(3,4-dichlorophenyl)-1,3-thiazolidine-4-carboxylate
CID 42729218
(2S,4S)-2-(3,4-dimethoxyphenyl)-3-(2-methylpropanoyl)-1,3-thiazolidine-4-carboxylic acid
CID 7226475
2-(3-methoxy-4-phenylmethoxyphenyl)cyclopropane-1-carboxylic acid
CID 82228571
2-(3,4-dimethoxyphenyl)-3-(thiophene-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 42728562
ethyl 3-(4-tert-butylbenzoyl)-2-(4-methoxy-3-phenylmethoxyphenyl)-1,3-thiazolidine-4-carboxylate
CID 4266553
2-(4-phenylmethoxyphenyl)-3-propanoyl-1,3-thiazolidine-4-carboxylic acid
CID 42728839
2-(4-methoxy-3-phenylmethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 4037304
3-cyclopentyl-1-[2-(4-methoxy-3-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]propan-1-one
CID 4191905

Frequently Asked Questions

What is the IUPAC name of 3-(cyclobutanecarbonyl)-2-(3-methoxy-4-phenylmethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 3-(cyclobutanecarbonyl)-2-(3-methoxy-4-phenylmethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid (CID 42729298) is 3-(cyclobutanecarbonyl)-2-(3-methoxy-4-phenylmethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 3-(cyclobutanecarbonyl)-2-(3-methoxy-4-phenylmethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 3-(cyclobutanecarbonyl)-2-(3-methoxy-4-phenylmethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid is COc1cc(C2SCC(C(=O)O)N2C(=O)C2CCC2)ccc1OCc1ccccc1.
What is the InChIKey of 3-(cyclobutanecarbonyl)-2-(3-methoxy-4-phenylmethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is RFQJCEGGJUQILW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO5S/c1-28-20-12-17(10-11-19(20)29-13-15-6-3-2-4-7-15)22-24(18(14-30-22)23(26)27)21(25)16-8-5-9-16/h2-4,6-7,10-12,16,18,22H,5,8-9,13-14H2,1H3,(H,26,27).
What are the key properties of 3-(cyclobutanecarbonyl)-2-(3-methoxy-4-phenylmethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid?
3-(cyclobutanecarbonyl)-2-(3-methoxy-4-phenylmethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 427.52 g/mol, XLogP of 4.10, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclobutanecarbonyl)-2-(3-methoxy-4-phenylmethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 42729298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).