3-(5-methylpyrazine-2-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid

C13H17N3O3S — CID 63792058

IUPAC3-(5-methylpyrazine-2-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid
SMILESCCCC1SCC(C(=O)O)N1C(=O)c1cnc(C)cn1
InChIInChI=1S/C13H17N3O3S/c1-3-4-11-16(10(7-20-11)13(18)19)12(17)9-6-14-8(2)5-15-9/h5-6,10-11H,3-4,7H2,1-2H3,(H,18,19)
InChIKeyWEUYSZDVWWOPGW-UHFFFAOYSA-N
MW295.36 g/mol
LogP1.55
Rot. Bonds4

About 3-(5-methylpyrazine-2-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid

3-(5-methylpyrazine-2-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid (PubChem CID 63792058) has the molecular formula C13H17N3O3S and a molecular weight of 295.36 g/mol. Its IUPAC name is 3-(5-methylpyrazine-2-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-(5-methylpyrazine-2-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid
PubChem CID63792058
Molecular FormulaC13H17N3O3S
Molecular Weight295.36 g/mol
Exact Mass295.10
IUPAC Name3-(5-methylpyrazine-2-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid
SMILESCCCC1SCC(C(=O)O)N1C(=O)c1cnc(C)cn1
InChIInChI=1S/C13H17N3O3S/c1-3-4-11-16(10(7-20-11)13(18)19)12(17)9-6-14-8(2)5-15-9/h5-6,10-11H,3-4,7H2,1-2H3,(H,18,19)
InChIKeyWEUYSZDVWWOPGW-UHFFFAOYSA-N
XLogP1.55
TPSA83.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(5-methylpyrazine-2-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 3-(5-methylpyrazine-2-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid (CID 63792058) is 3-(5-methylpyrazine-2-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 3-(5-methylpyrazine-2-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 3-(5-methylpyrazine-2-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid is CCCC1SCC(C(=O)O)N1C(=O)c1cnc(C)cn1.
What is the InChIKey of 3-(5-methylpyrazine-2-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is WEUYSZDVWWOPGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3S/c1-3-4-11-16(10(7-20-11)13(18)19)12(17)9-6-14-8(2)5-15-9/h5-6,10-11H,3-4,7H2,1-2H3,(H,18,19).
What are the key properties of 3-(5-methylpyrazine-2-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid?
3-(5-methylpyrazine-2-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 295.36 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methylpyrazine-2-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 63792058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).