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

C12H15N3O4S — CID 63792948

IUPAC3-(6-oxo-1H-pyrazine-3-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid
SMILESCCCC1SCC(C(=O)O)N1C(=O)c1c[nH]c(=O)cn1
InChIInChI=1S/C12H15N3O4S/c1-2-3-10-15(8(6-20-10)12(18)19)11(17)7-4-14-9(16)5-13-7/h4-5,8,10H,2-3,6H2,1H3,(H,14,16)(H,18,19)
InChIKeyGHJJEKJHJJJNER-UHFFFAOYSA-N
MW297.34 g/mol
LogP0.54
Rot. Bonds4

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

3-(6-oxo-1H-pyrazine-3-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid (PubChem CID 63792948) has the molecular formula C12H15N3O4S and a molecular weight of 297.34 g/mol. Its IUPAC name is 3-(6-oxo-1H-pyrazine-3-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-(6-oxo-1H-pyrazine-3-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid
PubChem CID63792948
Molecular FormulaC12H15N3O4S
Molecular Weight297.34 g/mol
Exact Mass297.08
IUPAC Name3-(6-oxo-1H-pyrazine-3-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid
SMILESCCCC1SCC(C(=O)O)N1C(=O)c1c[nH]c(=O)cn1
InChIInChI=1S/C12H15N3O4S/c1-2-3-10-15(8(6-20-10)12(18)19)11(17)7-4-14-9(16)5-13-7/h4-5,8,10H,2-3,6H2,1H3,(H,14,16)(H,18,19)
InChIKeyGHJJEKJHJJJNER-UHFFFAOYSA-N
XLogP0.54
TPSA103.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.34
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(6-oxo-1H-pyrazine-3-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 3-(6-oxo-1H-pyrazine-3-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid (CID 63792948) is 3-(6-oxo-1H-pyrazine-3-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 3-(6-oxo-1H-pyrazine-3-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 3-(6-oxo-1H-pyrazine-3-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid is CCCC1SCC(C(=O)O)N1C(=O)c1c[nH]c(=O)cn1.
What is the InChIKey of 3-(6-oxo-1H-pyrazine-3-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is GHJJEKJHJJJNER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O4S/c1-2-3-10-15(8(6-20-10)12(18)19)11(17)7-4-14-9(16)5-13-7/h4-5,8,10H,2-3,6H2,1H3,(H,14,16)(H,18,19).
What are the key properties of 3-(6-oxo-1H-pyrazine-3-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid?
3-(6-oxo-1H-pyrazine-3-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 297.34 g/mol, XLogP of 0.54, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-oxo-1H-pyrazine-3-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 63792948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).