2-(3,4-dimethoxyphenyl)-3-(thiophene-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid

C17H17NO5S2 — CID 42728562

IUPAC2-(3,4-dimethoxyphenyl)-3-(thiophene-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCOc1ccc(C2SCC(C(=O)O)N2C(=O)c2cccs2)cc1OC
InChIInChI=1S/C17H17NO5S2/c1-22-12-6-5-10(8-13(12)23-2)16-18(11(9-25-16)17(20)21)15(19)14-4-3-7-24-14/h3-8,11,16H,9H2,1-2H3,(H,20,21)
InChIKeyRANFJWAHFTXRMZ-UHFFFAOYSA-N
MW379.46 g/mol
LogP3.11
Rot. Bonds5

About 2-(3,4-dimethoxyphenyl)-3-(thiophene-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid

2-(3,4-dimethoxyphenyl)-3-(thiophene-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 42728562) has the molecular formula C17H17NO5S2 and a molecular weight of 379.46 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-3-(thiophene-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-3-(thiophene-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID42728562
Molecular FormulaC17H17NO5S2
Molecular Weight379.46 g/mol
Exact Mass379.05
IUPAC Name2-(3,4-dimethoxyphenyl)-3-(thiophene-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCOc1ccc(C2SCC(C(=O)O)N2C(=O)c2cccs2)cc1OC
InChIInChI=1S/C17H17NO5S2/c1-22-12-6-5-10(8-13(12)23-2)16-18(11(9-25-16)17(20)21)15(19)14-4-3-7-24-14/h3-8,11,16H,9H2,1-2H3,(H,20,21)
InChIKeyRANFJWAHFTXRMZ-UHFFFAOYSA-N
XLogP3.11
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S,4S)-3-acetyl-2-(3,4-dimethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 7231223
(2S,4S)-2-(3,4-dimethoxyphenyl)-3-(2-methylpropanoyl)-1,3-thiazolidine-4-carboxylic acid
CID 7226475
(2R)-2-(3-methoxyphenyl)-1,3-thiazolidine-3,4-dicarboxylic acid
CID 90789628
2-(3-methoxy-4-phenylmethoxyphenyl)-3-(2-phenylmethoxyacetyl)-1,3-thiazolidine-4-carboxylic acid
CID 42729302
3-(cyclobutanecarbonyl)-2-(3-methoxy-4-phenylmethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 42729298
3-(3,3-dimethylbutanoyl)-2-(3-methoxy-4-phenylmethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 42729292
N-benzyl-2-(3,4-dimethoxyphenyl)-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxamide
CID 42748764
(2S,4S)-3-(cyclohexanecarbonyl)-2-(3,4-dimethoxyphenyl)-1,3-thiazolidine-4-carboxylate
CID 7430050
N-benzhydryl-3-(3,4-dimethoxybenzoyl)-2-thiophen-2-yl-1,3-thiazolidine-4-carboxamide
CID 3565672
[2-(3,4-dimethoxyphenyl)-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidin-4-yl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 42748782
3-(3,4-dimethoxybenzoyl)-2-phenyl-N-propyl-1,3-thiazolidine-4-carboxamide
CID 42744233
3-acetyl-2-(3,4-dimethoxyphenyl)-N-(3-methylbutyl)-1,3-thiazolidine-4-carboxamide
CID 42744705

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-3-(thiophene-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-3-(thiophene-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid (CID 42728562) is 2-(3,4-dimethoxyphenyl)-3-(thiophene-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-3-(thiophene-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-3-(thiophene-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid is COc1ccc(C2SCC(C(=O)O)N2C(=O)c2cccs2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-3-(thiophene-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is RANFJWAHFTXRMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO5S2/c1-22-12-6-5-10(8-13(12)23-2)16-18(11(9-25-16)17(20)21)15(19)14-4-3-7-24-14/h3-8,11,16H,9H2,1-2H3,(H,20,21).
What are the key properties of 2-(3,4-dimethoxyphenyl)-3-(thiophene-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
2-(3,4-dimethoxyphenyl)-3-(thiophene-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 379.46 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-3-(thiophene-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 42728562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).