3-(2,4-dioxo-1H-pyrimidine-6-carbonyl)-1,3-thiazolidine-4-carboxylic acid

C9H9N3O5S — CID 24693844

IUPAC3-(2,4-dioxo-1H-pyrimidine-6-carbonyl)-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)C1CSCN1C(=O)c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C9H9N3O5S/c13-6-1-4(10-9(17)11-6)7(14)12-3-18-2-5(12)8(15)16/h1,5H,2-3H2,(H,15,16)(H2,10,11,13,17)
InChIKeyWTAPIVCQBYGBDC-UHFFFAOYSA-N
MW271.25 g/mol
LogP-1.34
Rot. Bonds2

About 3-(2,4-dioxo-1H-pyrimidine-6-carbonyl)-1,3-thiazolidine-4-carboxylic acid

3-(2,4-dioxo-1H-pyrimidine-6-carbonyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 24693844) has the molecular formula C9H9N3O5S and a molecular weight of 271.25 g/mol. Its IUPAC name is 3-(2,4-dioxo-1H-pyrimidine-6-carbonyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-(2,4-dioxo-1H-pyrimidine-6-carbonyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID24693844
Molecular FormulaC9H9N3O5S
Molecular Weight271.25 g/mol
Exact Mass271.03
IUPAC Name3-(2,4-dioxo-1H-pyrimidine-6-carbonyl)-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)C1CSCN1C(=O)c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C9H9N3O5S/c13-6-1-4(10-9(17)11-6)7(14)12-3-18-2-5(12)8(15)16/h1,5H,2-3H2,(H,15,16)(H2,10,11,13,17)
InChIKeyWTAPIVCQBYGBDC-UHFFFAOYSA-N
XLogP-1.34
TPSA123.33 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.25
LogP ≤ 5-1.34
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-6-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 3-(2,4-dioxo-1H-pyrimidine-6-carbonyl)-1,3-thiazolidine-4-carboxylic acid (CID 24693844) is 3-(2,4-dioxo-1H-pyrimidine-6-carbonyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 3-(2,4-dioxo-1H-pyrimidine-6-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 3-(2,4-dioxo-1H-pyrimidine-6-carbonyl)-1,3-thiazolidine-4-carboxylic acid is O=C(O)C1CSCN1C(=O)c1cc(=O)[nH]c(=O)[nH]1.
What is the InChIKey of 3-(2,4-dioxo-1H-pyrimidine-6-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is WTAPIVCQBYGBDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O5S/c13-6-1-4(10-9(17)11-6)7(14)12-3-18-2-5(12)8(15)16/h1,5H,2-3H2,(H,15,16)(H2,10,11,13,17).
What are the key properties of 3-(2,4-dioxo-1H-pyrimidine-6-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
3-(2,4-dioxo-1H-pyrimidine-6-carbonyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 271.25 g/mol, XLogP of -1.34, 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-6-carbonyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 24693844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).