3-(5-cyanopyridine-2-carbonyl)-2-ethyl-1,3-thiazolidine-4-carboxylic acid

C13H13N3O3S — CID 63792558

IUPAC3-(5-cyanopyridine-2-carbonyl)-2-ethyl-1,3-thiazolidine-4-carboxylic acid
SMILESCCC1SCC(C(=O)O)N1C(=O)c1ccc(C#N)cn1
InChIInChI=1S/C13H13N3O3S/c1-2-11-16(10(7-20-11)13(18)19)12(17)9-4-3-8(5-14)6-15-9/h3-4,6,10-11H,2,7H2,1H3,(H,18,19)
InChIKeyOYAUONXBBXRPRE-UHFFFAOYSA-N
MW291.33 g/mol
LogP1.33
Rot. Bonds3

About 3-(5-cyanopyridine-2-carbonyl)-2-ethyl-1,3-thiazolidine-4-carboxylic acid

3-(5-cyanopyridine-2-carbonyl)-2-ethyl-1,3-thiazolidine-4-carboxylic acid (PubChem CID 63792558) has the molecular formula C13H13N3O3S and a molecular weight of 291.33 g/mol. Its IUPAC name is 3-(5-cyanopyridine-2-carbonyl)-2-ethyl-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-(5-cyanopyridine-2-carbonyl)-2-ethyl-1,3-thiazolidine-4-carboxylic acid
PubChem CID63792558
Molecular FormulaC13H13N3O3S
Molecular Weight291.33 g/mol
Exact Mass291.07
IUPAC Name3-(5-cyanopyridine-2-carbonyl)-2-ethyl-1,3-thiazolidine-4-carboxylic acid
SMILESCCC1SCC(C(=O)O)N1C(=O)c1ccc(C#N)cn1
InChIInChI=1S/C13H13N3O3S/c1-2-11-16(10(7-20-11)13(18)19)12(17)9-4-3-8(5-14)6-15-9/h3-4,6,10-11H,2,7H2,1H3,(H,18,19)
InChIKeyOYAUONXBBXRPRE-UHFFFAOYSA-N
XLogP1.33
TPSA94.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethyl-3-(1-methylpyrazole-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 103116824
3-(4-cyanobenzoyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 63792222
(2S,4R)-1-(5-cyanopyridine-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 63856378
2-ethyl-3-(3-methylthiophene-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 63792553
3-[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]-2-ethyl-1,3-thiazolidine-4-carboxylic acid
CID 66388983
6-(3,4-dimethylpyrrolidine-1-carbonyl)pyridine-3-carbonitrile
CID 79036597
6-[4-(dimethylamino)piperidine-1-carbonyl]pyridine-3-carbonitrile
CID 63719374
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
6-(5-ethyl-2-methylmorpholine-4-carbonyl)pyridine-3-carbonitrile
CID 63719120
1-(5-cyanopyridine-2-carbonyl)-3-ethylpyrrolidine-3-carboxylic acid
CID 63724192
6-(4-aminopiperidine-1-carbonyl)pyridine-3-carbonitrile
CID 63723580

Frequently Asked Questions

What is the IUPAC name of 3-(5-cyanopyridine-2-carbonyl)-2-ethyl-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 3-(5-cyanopyridine-2-carbonyl)-2-ethyl-1,3-thiazolidine-4-carboxylic acid (CID 63792558) is 3-(5-cyanopyridine-2-carbonyl)-2-ethyl-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 3-(5-cyanopyridine-2-carbonyl)-2-ethyl-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 3-(5-cyanopyridine-2-carbonyl)-2-ethyl-1,3-thiazolidine-4-carboxylic acid is CCC1SCC(C(=O)O)N1C(=O)c1ccc(C#N)cn1.
What is the InChIKey of 3-(5-cyanopyridine-2-carbonyl)-2-ethyl-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is OYAUONXBBXRPRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3S/c1-2-11-16(10(7-20-11)13(18)19)12(17)9-4-3-8(5-14)6-15-9/h3-4,6,10-11H,2,7H2,1H3,(H,18,19).
What are the key properties of 3-(5-cyanopyridine-2-carbonyl)-2-ethyl-1,3-thiazolidine-4-carboxylic acid?
3-(5-cyanopyridine-2-carbonyl)-2-ethyl-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 291.33 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-cyanopyridine-2-carbonyl)-2-ethyl-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 63792558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).