2-ethyl-3-(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid

C12H14N2O5S — CID 63793079

IUPAC2-ethyl-3-(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCCC1SCC(C(=O)O)N1C(=O)c1cc(O)[nH]c(=O)c1
InChIInChI=1S/C12H14N2O5S/c1-2-10-14(7(5-20-10)12(18)19)11(17)6-3-8(15)13-9(16)4-6/h3-4,7,10H,2,5H2,1H3,(H,18,19)(H2,13,15,16)
InChIKeyMDAWEIXWTYEDME-UHFFFAOYSA-N
MW298.32 g/mol
LogP0.46
Rot. Bonds3

About 2-ethyl-3-(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid

2-ethyl-3-(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 63793079) has the molecular formula C12H14N2O5S and a molecular weight of 298.32 g/mol. Its IUPAC name is 2-ethyl-3-(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-3-(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID63793079
Molecular FormulaC12H14N2O5S
Molecular Weight298.32 g/mol
Exact Mass298.06
IUPAC Name2-ethyl-3-(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCCC1SCC(C(=O)O)N1C(=O)c1cc(O)[nH]c(=O)c1
InChIInChI=1S/C12H14N2O5S/c1-2-10-14(7(5-20-10)12(18)19)11(17)6-3-8(15)13-9(16)4-6/h3-4,7,10H,2,5H2,1H3,(H,18,19)(H2,13,15,16)
InChIKeyMDAWEIXWTYEDME-UHFFFAOYSA-N
XLogP0.46
TPSA110.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.32
LogP ≤ 50.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3,5-dibromobenzoyl)-2-ethyl-1,3-thiazolidine-4-carboxylic acid
CID 107971445
3-(3,5-dimethylbenzoyl)-2-ethyl-1,3-thiazolidine-4-carboxylic acid
CID 63792348
3-(3,5-difluorobenzoyl)-2-ethyl-1,3-thiazolidine-4-carboxylic acid
CID 63792890
2-ethyl-3-(5-iodothiophene-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 79685551
2-ethyl-3-(4-fluoro-3-methylbenzoyl)-1,3-thiazolidine-4-carboxylic acid
CID 63792343
2-ethyl-3-(5-nitrothiophene-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 63790786
(2R,4R)-2-ethyl-3-(2-sulfanylbenzoyl)-1,3-thiazolidine-4-carboxylic acid
CID 133064143
2-ethyl-3-(3-hydroxypyridine-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 63791486
2-ethyl-3-(2-fluoro-6-hydroxybenzoyl)-1,3-thiazolidine-4-carboxylic acid
CID 107013591
3-benzoyl-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 42744256
2-ethyl-3-(3-methylthiophene-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 63792553
2-ethyl-3-(ethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 63792402

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 2-ethyl-3-(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid (CID 63793079) is 2-ethyl-3-(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 2-ethyl-3-(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 2-ethyl-3-(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid is CCC1SCC(C(=O)O)N1C(=O)c1cc(O)[nH]c(=O)c1.
What is the InChIKey of 2-ethyl-3-(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is MDAWEIXWTYEDME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O5S/c1-2-10-14(7(5-20-10)12(18)19)11(17)6-3-8(15)13-9(16)4-6/h3-4,7,10H,2,5H2,1H3,(H,18,19)(H2,13,15,16).
What are the key properties of 2-ethyl-3-(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
2-ethyl-3-(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 298.32 g/mol, XLogP of 0.46, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 63793079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).