2,4-dioxo-1-[2-(1,3-thiazol-2-yl)ethyl]pyrimidine-5-carboxylic acid

C10H9N3O4S — CID 79873783

IUPAC2,4-dioxo-1-[2-(1,3-thiazol-2-yl)ethyl]pyrimidine-5-carboxylic acid
SMILESO=C(O)c1cn(CCc2nccs2)c(=O)[nH]c1=O
InChIInChI=1S/C10H9N3O4S/c14-8-6(9(15)16)5-13(10(17)12-8)3-1-7-11-2-4-18-7/h2,4-5H,1,3H2,(H,15,16)(H,12,14,17)
InChIKeyFYNZDBVCLOHEDC-UHFFFAOYSA-N
MW267.27 g/mol
LogP-0.07
Rot. Bonds4

About 2,4-dioxo-1-[2-(1,3-thiazol-2-yl)ethyl]pyrimidine-5-carboxylic acid

2,4-dioxo-1-[2-(1,3-thiazol-2-yl)ethyl]pyrimidine-5-carboxylic acid (PubChem CID 79873783) has the molecular formula C10H9N3O4S and a molecular weight of 267.27 g/mol. Its IUPAC name is 2,4-dioxo-1-[2-(1,3-thiazol-2-yl)ethyl]pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2,4-dioxo-1-[2-(1,3-thiazol-2-yl)ethyl]pyrimidine-5-carboxylic acid
PubChem CID79873783
Molecular FormulaC10H9N3O4S
Molecular Weight267.27 g/mol
Exact Mass267.03
IUPAC Name2,4-dioxo-1-[2-(1,3-thiazol-2-yl)ethyl]pyrimidine-5-carboxylic acid
SMILESO=C(O)c1cn(CCc2nccs2)c(=O)[nH]c1=O
InChIInChI=1S/C10H9N3O4S/c14-8-6(9(15)16)5-13(10(17)12-8)3-1-7-11-2-4-18-7/h2,4-5H,1,3H2,(H,15,16)(H,12,14,17)
InChIKeyFYNZDBVCLOHEDC-UHFFFAOYSA-N
XLogP-0.07
TPSA105.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.27
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2,4-dioxo-1-[2-(1,3-thiazol-2-yl)ethyl]pyrimidine-5-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,4-dioxo-1-[2-(1,3-thiazol-2-yl)ethyl]pyrimidine-5-carboxylic acid?
The IUPAC name of 2,4-dioxo-1-[2-(1,3-thiazol-2-yl)ethyl]pyrimidine-5-carboxylic acid (CID 79873783) is 2,4-dioxo-1-[2-(1,3-thiazol-2-yl)ethyl]pyrimidine-5-carboxylic acid.
What is the SMILES notation for 2,4-dioxo-1-[2-(1,3-thiazol-2-yl)ethyl]pyrimidine-5-carboxylic acid?
The canonical SMILES for 2,4-dioxo-1-[2-(1,3-thiazol-2-yl)ethyl]pyrimidine-5-carboxylic acid is O=C(O)c1cn(CCc2nccs2)c(=O)[nH]c1=O.
What is the InChIKey of 2,4-dioxo-1-[2-(1,3-thiazol-2-yl)ethyl]pyrimidine-5-carboxylic acid?
The InChIKey is FYNZDBVCLOHEDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O4S/c14-8-6(9(15)16)5-13(10(17)12-8)3-1-7-11-2-4-18-7/h2,4-5H,1,3H2,(H,15,16)(H,12,14,17).
What are the key properties of 2,4-dioxo-1-[2-(1,3-thiazol-2-yl)ethyl]pyrimidine-5-carboxylic acid?
2,4-dioxo-1-[2-(1,3-thiazol-2-yl)ethyl]pyrimidine-5-carboxylic acid has a molecular weight of 267.27 g/mol, XLogP of -0.07, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dioxo-1-[2-(1,3-thiazol-2-yl)ethyl]pyrimidine-5-carboxylic acid is sourced from PubChem (CID 79873783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).