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

C10H9N3O4S — CID 79874897

IUPAC2,4-dioxo-1-[2-(1,3-thiazol-4-yl)ethyl]pyrimidine-5-carboxylic acid
SMILESO=C(O)c1cn(CCc2cscn2)c(=O)[nH]c1=O
InChIInChI=1S/C10H9N3O4S/c14-8-7(9(15)16)3-13(10(17)12-8)2-1-6-4-18-5-11-6/h3-5H,1-2H2,(H,15,16)(H,12,14,17)
InChIKeySDXKDQUZMGTAFZ-UHFFFAOYSA-N
MW267.27 g/mol
LogP-0.07
Rot. Bonds4

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

2,4-dioxo-1-[2-(1,3-thiazol-4-yl)ethyl]pyrimidine-5-carboxylic acid (PubChem CID 79874897) 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-4-yl)ethyl]pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2,4-dioxo-1-[2-(1,3-thiazol-4-yl)ethyl]pyrimidine-5-carboxylic acid
PubChem CID79874897
Molecular FormulaC10H9N3O4S
Molecular Weight267.27 g/mol
Exact Mass267.03
IUPAC Name2,4-dioxo-1-[2-(1,3-thiazol-4-yl)ethyl]pyrimidine-5-carboxylic acid
SMILESO=C(O)c1cn(CCc2cscn2)c(=O)[nH]c1=O
InChIInChI=1S/C10H9N3O4S/c14-8-7(9(15)16)3-13(10(17)12-8)2-1-6-4-18-5-11-6/h3-5H,1-2H2,(H,15,16)(H,12,14,17)
InChIKeySDXKDQUZMGTAFZ-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

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Related Compounds

1,3-Dimethyl-5-[[2-(1,3-thiazol-4-yl)ethylamino]methyl]pyrimidine-2,4-dione
CID 63830060
2,3-Dimethyl-4-oxo-4-[2-(1,3-thiazol-4-yl)ethylcarbamoylamino]but-2-enoic acid
CID 77009199
2,4-Dioxo-1-[2-(1,3-thiazol-2-yl)ethyl]pyrimidine-5-carboxylic acid
CID 79873783
1-[(4-Methyl-1,3-thiazol-2-yl)methyl]-2,4-dioxopyrimidine-5-carboxylic acid
CID 79874024
2,4-Dioxo-1-[2-(1,3-thiazol-4-yl)ethyl]pyrimidine-5-carbonitrile
CID 79874216
2,4-Dioxo-1-(1,3-thiazol-4-ylmethyl)pyrimidine-5-carboxylic acid
CID 79874679
1-[(4-Methyl-1,3-thiazol-5-yl)methyl]-2,4-dioxopyrimidine-5-carboxylic acid
CID 79875603
1-[1-(4-Methyl-1,3-thiazol-2-yl)ethyl]-2,4-dioxopyrimidine-5-carboxylic acid
CID 79875789
1-[(2-Methyl-1,3-thiazol-4-yl)methyl]-2,4-dioxopyrimidine-5-carboxylic acid
CID 79876126
1-[2-(4-Methyl-1,3-thiazol-2-yl)ethyl]-2,4-dioxopyrimidine-5-carboxylic acid
CID 79876462
5-acetyl-3-[2-(1,3-thiazol-4-yl)ethyl]-1H-pyrimidine-2,4-dione
CID 80643782
6-Hydroxy-5-methyl-1-[2-(1,3-thiazol-4-yl)ethyl]pyrimidine-2,4-dione
CID 112600711

Frequently Asked Questions

What is the IUPAC name of 2,4-dioxo-1-[2-(1,3-thiazol-4-yl)ethyl]pyrimidine-5-carboxylic acid?
The IUPAC name of 2,4-dioxo-1-[2-(1,3-thiazol-4-yl)ethyl]pyrimidine-5-carboxylic acid (CID 79874897) is 2,4-dioxo-1-[2-(1,3-thiazol-4-yl)ethyl]pyrimidine-5-carboxylic acid.
What is the SMILES notation for 2,4-dioxo-1-[2-(1,3-thiazol-4-yl)ethyl]pyrimidine-5-carboxylic acid?
The canonical SMILES for 2,4-dioxo-1-[2-(1,3-thiazol-4-yl)ethyl]pyrimidine-5-carboxylic acid is O=C(O)c1cn(CCc2cscn2)c(=O)[nH]c1=O.
What is the InChIKey of 2,4-dioxo-1-[2-(1,3-thiazol-4-yl)ethyl]pyrimidine-5-carboxylic acid?
The InChIKey is SDXKDQUZMGTAFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O4S/c14-8-7(9(15)16)3-13(10(17)12-8)2-1-6-4-18-5-11-6/h3-5H,1-2H2,(H,15,16)(H,12,14,17).
What are the key properties of 2,4-dioxo-1-[2-(1,3-thiazol-4-yl)ethyl]pyrimidine-5-carboxylic acid?
2,4-dioxo-1-[2-(1,3-thiazol-4-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-4-yl)ethyl]pyrimidine-5-carboxylic acid is sourced from PubChem (CID 79874897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).