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

C13H16N2O4S — CID 63781226

IUPAC3-(6-oxo-1H-pyridine-3-carbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
SMILESCC(C)C1SCC(C(=O)O)N1C(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C13H16N2O4S/c1-7(2)12-15(9(6-20-12)13(18)19)11(17)8-3-4-10(16)14-5-8/h3-5,7,9,12H,6H2,1-2H3,(H,14,16)(H,18,19)
InChIKeyHKDXDHKELREAQK-UHFFFAOYSA-N
MW296.35 g/mol
LogP1.00
Rot. Bonds3

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

3-(6-oxo-1H-pyridine-3-carbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid (PubChem CID 63781226) has the molecular formula C13H16N2O4S and a molecular weight of 296.35 g/mol. Its IUPAC name is 3-(6-oxo-1H-pyridine-3-carbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-(6-oxo-1H-pyridine-3-carbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
PubChem CID63781226
Molecular FormulaC13H16N2O4S
Molecular Weight296.35 g/mol
Exact Mass296.08
IUPAC Name3-(6-oxo-1H-pyridine-3-carbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
SMILESCC(C)C1SCC(C(=O)O)N1C(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C13H16N2O4S/c1-7(2)12-15(9(6-20-12)13(18)19)11(17)8-3-4-10(16)14-5-8/h3-5,7,9,12H,6H2,1-2H3,(H,14,16)(H,18,19)
InChIKeyHKDXDHKELREAQK-UHFFFAOYSA-N
XLogP1.00
TPSA90.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(6-bromopyridine-3-carbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
CID 66462662
3-(3,5-dichlorobenzoyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
CID 63780666
3-(3-hydroxybenzoyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
CID 63780688
(2S,4S)-3-(3-fluorobenzoyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
CID 7361288
(2R,4S)-3-(2-chlorobenzoyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
CID 93033230
(2S,4S)-3-(2-fluorobenzoyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
CID 93033237
3-(4-methyl-1,2-oxazole-5-carbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
CID 66335399
3-(3-hydroxypyridine-2-carbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
CID 63780314
2-propan-2-yl-3-(1-propylpyrrole-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 63780308
3-(4-fluorobenzoyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 63792654
3-methoxycarbonyl-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
CID 63781303
3-[2-(4-fluorophenyl)acetyl]-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
CID 63780328

Frequently Asked Questions

What is the IUPAC name of 3-(6-oxo-1H-pyridine-3-carbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 3-(6-oxo-1H-pyridine-3-carbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid (CID 63781226) is 3-(6-oxo-1H-pyridine-3-carbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 3-(6-oxo-1H-pyridine-3-carbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 3-(6-oxo-1H-pyridine-3-carbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid is CC(C)C1SCC(C(=O)O)N1C(=O)c1ccc(=O)[nH]c1.
What is the InChIKey of 3-(6-oxo-1H-pyridine-3-carbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is HKDXDHKELREAQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4S/c1-7(2)12-15(9(6-20-12)13(18)19)11(17)8-3-4-10(16)14-5-8/h3-5,7,9,12H,6H2,1-2H3,(H,14,16)(H,18,19).
What are the key properties of 3-(6-oxo-1H-pyridine-3-carbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid?
3-(6-oxo-1H-pyridine-3-carbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 296.35 g/mol, XLogP of 1.00, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-oxo-1H-pyridine-3-carbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 63781226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).