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

C12H15N3O4S — CID 63781934

IUPAC3-(6-oxo-1H-pyrazine-3-carbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
SMILESCC(C)C1SCC(C(=O)O)N1C(=O)c1c[nH]c(=O)cn1
InChIInChI=1S/C12H15N3O4S/c1-6(2)11-15(8(5-20-11)12(18)19)10(17)7-3-14-9(16)4-13-7/h3-4,6,8,11H,5H2,1-2H3,(H,14,16)(H,18,19)
InChIKeyYRSZHVBZBPCQCV-UHFFFAOYSA-N
MW297.34 g/mol
LogP0.39
Rot. Bonds3

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

3-(6-oxo-1H-pyrazine-3-carbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid (PubChem CID 63781934) 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-propan-2-yl-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-(6-oxo-1H-pyrazine-3-carbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
PubChem CID63781934
Molecular FormulaC12H15N3O4S
Molecular Weight297.34 g/mol
Exact Mass297.08
IUPAC Name3-(6-oxo-1H-pyrazine-3-carbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
SMILESCC(C)C1SCC(C(=O)O)N1C(=O)c1c[nH]c(=O)cn1
InChIInChI=1S/C12H15N3O4S/c1-6(2)11-15(8(5-20-11)12(18)19)10(17)7-3-14-9(16)4-13-7/h3-4,6,8,11H,5H2,1-2H3,(H,14,16)(H,18,19)
InChIKeyYRSZHVBZBPCQCV-UHFFFAOYSA-N
XLogP0.39
TPSA103.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.34
LogP ≤ 50.39
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-propan-2-yl-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 3-(6-oxo-1H-pyrazine-3-carbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid (CID 63781934) is 3-(6-oxo-1H-pyrazine-3-carbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 3-(6-oxo-1H-pyrazine-3-carbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 3-(6-oxo-1H-pyrazine-3-carbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid is CC(C)C1SCC(C(=O)O)N1C(=O)c1c[nH]c(=O)cn1.
What is the InChIKey of 3-(6-oxo-1H-pyrazine-3-carbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is YRSZHVBZBPCQCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O4S/c1-6(2)11-15(8(5-20-11)12(18)19)10(17)7-3-14-9(16)4-13-7/h3-4,6,8,11H,5H2,1-2H3,(H,14,16)(H,18,19).
What are the key properties of 3-(6-oxo-1H-pyrazine-3-carbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid?
3-(6-oxo-1H-pyrazine-3-carbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 297.34 g/mol, XLogP of 0.39, 3 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-propan-2-yl-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 63781934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).