2-ethyl-3-(3-methylpyridine-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid

C13H16N2O3S — CID 63790769

IUPAC2-ethyl-3-(3-methylpyridine-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCCC1SCC(C(=O)O)N1C(=O)c1ncccc1C
InChIInChI=1S/C13H16N2O3S/c1-3-10-15(9(7-19-10)13(17)18)12(16)11-8(2)5-4-6-14-11/h4-6,9-10H,3,7H2,1-2H3,(H,17,18)
InChIKeyHGMIQNHDCASJEX-UHFFFAOYSA-N
MW280.35 g/mol
LogP1.77
Rot. Bonds3

About 2-ethyl-3-(3-methylpyridine-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid

2-ethyl-3-(3-methylpyridine-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 63790769) has the molecular formula C13H16N2O3S and a molecular weight of 280.35 g/mol. Its IUPAC name is 2-ethyl-3-(3-methylpyridine-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-3-(3-methylpyridine-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID63790769
Molecular FormulaC13H16N2O3S
Molecular Weight280.35 g/mol
Exact Mass280.09
IUPAC Name2-ethyl-3-(3-methylpyridine-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCCC1SCC(C(=O)O)N1C(=O)c1ncccc1C
InChIInChI=1S/C13H16N2O3S/c1-3-10-15(9(7-19-10)13(17)18)12(16)11-8(2)5-4-6-14-11/h4-6,9-10H,3,7H2,1-2H3,(H,17,18)
InChIKeyHGMIQNHDCASJEX-UHFFFAOYSA-N
XLogP1.77
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-3-(3-hydroxypyridine-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 63791486
2-ethyl-3-(3-methylthiophene-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 63792553
3-(3,5-dimethylbenzoyl)-2-ethyl-1,3-thiazolidine-4-carboxylic acid
CID 63792348
(2R,4R)-2-ethyl-3-(2-sulfanylbenzoyl)-1,3-thiazolidine-4-carboxylic acid
CID 133064143
2-ethyl-3-(4-fluoro-3-methylbenzoyl)-1,3-thiazolidine-4-carboxylic acid
CID 63792343
2-ethyl-3-(1-methylpyrazole-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 103116824
2-ethyl-3-(2-fluoro-6-hydroxybenzoyl)-1,3-thiazolidine-4-carboxylic acid
CID 107013591
2-ethyl-3-(2-methylsulfanylbenzoyl)-1,3-thiazolidine-4-carboxylic acid
CID 63791651
3-(3-hydroxypyridine-2-carbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
CID 63780314
2-ethyl-3-[methyl(pyridin-3-ylmethyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 63780902
3-(3,5-dibromobenzoyl)-2-ethyl-1,3-thiazolidine-4-carboxylic acid
CID 107971445
3-(5-cyanopyridine-2-carbonyl)-2-ethyl-1,3-thiazolidine-4-carboxylic acid
CID 63792558

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-(3-methylpyridine-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 2-ethyl-3-(3-methylpyridine-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid (CID 63790769) is 2-ethyl-3-(3-methylpyridine-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 2-ethyl-3-(3-methylpyridine-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 2-ethyl-3-(3-methylpyridine-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid is CCC1SCC(C(=O)O)N1C(=O)c1ncccc1C.
What is the InChIKey of 2-ethyl-3-(3-methylpyridine-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is HGMIQNHDCASJEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3S/c1-3-10-15(9(7-19-10)13(17)18)12(16)11-8(2)5-4-6-14-11/h4-6,9-10H,3,7H2,1-2H3,(H,17,18).
What are the key properties of 2-ethyl-3-(3-methylpyridine-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
2-ethyl-3-(3-methylpyridine-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 280.35 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-(3-methylpyridine-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 63790769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).