3-(2,4-dioxo-1H-pyrimidine-5-carbonyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid

C10H11N3O5S — CID 55235124

IUPAC3-(2,4-dioxo-1H-pyrimidine-5-carbonyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid
SMILESCC1SCC(C(=O)O)N1C(=O)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C10H11N3O5S/c1-4-13(6(3-19-4)9(16)17)8(15)5-2-11-10(18)12-7(5)14/h2,4,6H,3H2,1H3,(H,16,17)(H2,11,12,14,18)
InChIKeyJEONUJRBPHJRHM-UHFFFAOYSA-N
MW285.28 g/mol
LogP-0.95
Rot. Bonds2

About 3-(2,4-dioxo-1H-pyrimidine-5-carbonyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid

3-(2,4-dioxo-1H-pyrimidine-5-carbonyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid (PubChem CID 55235124) has the molecular formula C10H11N3O5S and a molecular weight of 285.28 g/mol. Its IUPAC name is 3-(2,4-dioxo-1H-pyrimidine-5-carbonyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-(2,4-dioxo-1H-pyrimidine-5-carbonyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid
PubChem CID55235124
Molecular FormulaC10H11N3O5S
Molecular Weight285.28 g/mol
Exact Mass285.04
IUPAC Name3-(2,4-dioxo-1H-pyrimidine-5-carbonyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid
SMILESCC1SCC(C(=O)O)N1C(=O)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C10H11N3O5S/c1-4-13(6(3-19-4)9(16)17)8(15)5-2-11-10(18)12-7(5)14/h2,4,6H,3H2,1H3,(H,16,17)(H2,11,12,14,18)
InChIKeyJEONUJRBPHJRHM-UHFFFAOYSA-N
XLogP-0.95
TPSA123.33 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.28
LogP ≤ 5-0.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dioxo-1H-pyrimidine-5-carbonyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 3-(2,4-dioxo-1H-pyrimidine-5-carbonyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid (CID 55235124) is 3-(2,4-dioxo-1H-pyrimidine-5-carbonyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 3-(2,4-dioxo-1H-pyrimidine-5-carbonyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 3-(2,4-dioxo-1H-pyrimidine-5-carbonyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid is CC1SCC(C(=O)O)N1C(=O)c1c[nH]c(=O)[nH]c1=O.
What is the InChIKey of 3-(2,4-dioxo-1H-pyrimidine-5-carbonyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is JEONUJRBPHJRHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O5S/c1-4-13(6(3-19-4)9(16)17)8(15)5-2-11-10(18)12-7(5)14/h2,4,6H,3H2,1H3,(H,16,17)(H2,11,12,14,18).
What are the key properties of 3-(2,4-dioxo-1H-pyrimidine-5-carbonyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid?
3-(2,4-dioxo-1H-pyrimidine-5-carbonyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 285.28 g/mol, XLogP of -0.95, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dioxo-1H-pyrimidine-5-carbonyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 55235124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).