1-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,4-dioxopyrimidine-5-carboxylic acid

C10H9N3O4S — CID 79876126

IUPAC1-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,4-dioxopyrimidine-5-carboxylic acid
SMILESCc1nc(Cn2cc(C(=O)O)c(=O)[nH]c2=O)cs1
InChIInChI=1S/C10H9N3O4S/c1-5-11-6(4-18-5)2-13-3-7(9(15)16)8(14)12-10(13)17/h3-4H,2H2,1H3,(H,15,16)(H,12,14,17)
InChIKeyMXCHTUJFPGNACP-UHFFFAOYSA-N
MW267.27 g/mol
LogP0.05
Rot. Bonds3

About 1-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,4-dioxopyrimidine-5-carboxylic acid

1-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,4-dioxopyrimidine-5-carboxylic acid (PubChem CID 79876126) has the molecular formula C10H9N3O4S and a molecular weight of 267.27 g/mol. Its IUPAC name is 1-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,4-dioxopyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name1-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,4-dioxopyrimidine-5-carboxylic acid
PubChem CID79876126
Molecular FormulaC10H9N3O4S
Molecular Weight267.27 g/mol
Exact Mass267.03
IUPAC Name1-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,4-dioxopyrimidine-5-carboxylic acid
SMILESCc1nc(Cn2cc(C(=O)O)c(=O)[nH]c2=O)cs1
InChIInChI=1S/C10H9N3O4S/c1-5-11-6(4-18-5)2-13-3-7(9(15)16)8(14)12-10(13)17/h3-4H,2H2,1H3,(H,15,16)(H,12,14,17)
InChIKeyMXCHTUJFPGNACP-UHFFFAOYSA-N
XLogP0.05
TPSA105.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.27
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,4-dioxopyrimidine-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 1-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,4-dioxopyrimidine-5-carboxylic acid?
The IUPAC name of 1-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,4-dioxopyrimidine-5-carboxylic acid (CID 79876126) is 1-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,4-dioxopyrimidine-5-carboxylic acid.
What is the SMILES notation for 1-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,4-dioxopyrimidine-5-carboxylic acid?
The canonical SMILES for 1-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,4-dioxopyrimidine-5-carboxylic acid is Cc1nc(Cn2cc(C(=O)O)c(=O)[nH]c2=O)cs1.
What is the InChIKey of 1-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,4-dioxopyrimidine-5-carboxylic acid?
The InChIKey is MXCHTUJFPGNACP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O4S/c1-5-11-6(4-18-5)2-13-3-7(9(15)16)8(14)12-10(13)17/h3-4H,2H2,1H3,(H,15,16)(H,12,14,17).
What are the key properties of 1-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,4-dioxopyrimidine-5-carboxylic acid?
1-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,4-dioxopyrimidine-5-carboxylic acid has a molecular weight of 267.27 g/mol, XLogP of 0.05, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,4-dioxopyrimidine-5-carboxylic acid is sourced from PubChem (CID 79876126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).