2-methyl-3-(6-oxo-1H-pyrazine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid

C10H11N3O4S — CID 55236085

IUPAC2-methyl-3-(6-oxo-1H-pyrazine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCC1SCC(C(=O)O)N1C(=O)c1c[nH]c(=O)cn1
InChIInChI=1S/C10H11N3O4S/c1-5-13(7(4-18-5)10(16)17)9(15)6-2-12-8(14)3-11-6/h2-3,5,7H,4H2,1H3,(H,12,14)(H,16,17)
InChIKeyLJPRTIYIJMAKML-UHFFFAOYSA-N
MW269.28 g/mol
LogP-0.24
Rot. Bonds2

About 2-methyl-3-(6-oxo-1H-pyrazine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid

2-methyl-3-(6-oxo-1H-pyrazine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 55236085) has the molecular formula C10H11N3O4S and a molecular weight of 269.28 g/mol. Its IUPAC name is 2-methyl-3-(6-oxo-1H-pyrazine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name2-methyl-3-(6-oxo-1H-pyrazine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID55236085
Molecular FormulaC10H11N3O4S
Molecular Weight269.28 g/mol
Exact Mass269.05
IUPAC Name2-methyl-3-(6-oxo-1H-pyrazine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCC1SCC(C(=O)O)N1C(=O)c1c[nH]c(=O)cn1
InChIInChI=1S/C10H11N3O4S/c1-5-13(7(4-18-5)10(16)17)9(15)6-2-12-8(14)3-11-6/h2-3,5,7H,4H2,1H3,(H,12,14)(H,16,17)
InChIKeyLJPRTIYIJMAKML-UHFFFAOYSA-N
XLogP-0.24
TPSA103.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(6-oxo-1H-pyrazine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 2-methyl-3-(6-oxo-1H-pyrazine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid (CID 55236085) is 2-methyl-3-(6-oxo-1H-pyrazine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 2-methyl-3-(6-oxo-1H-pyrazine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 2-methyl-3-(6-oxo-1H-pyrazine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid is CC1SCC(C(=O)O)N1C(=O)c1c[nH]c(=O)cn1.
What is the InChIKey of 2-methyl-3-(6-oxo-1H-pyrazine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is LJPRTIYIJMAKML-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O4S/c1-5-13(7(4-18-5)10(16)17)9(15)6-2-12-8(14)3-11-6/h2-3,5,7H,4H2,1H3,(H,12,14)(H,16,17).
What are the key properties of 2-methyl-3-(6-oxo-1H-pyrazine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
2-methyl-3-(6-oxo-1H-pyrazine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 269.28 g/mol, XLogP of -0.24, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(6-oxo-1H-pyrazine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 55236085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).