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

C10H9N3O4S — CID 79875603

IUPAC1-[(4-methyl-1,3-thiazol-5-yl)methyl]-2,4-dioxopyrimidine-5-carboxylic acid
SMILESCc1ncsc1Cn1cc(C(=O)O)c(=O)[nH]c1=O
InChIInChI=1S/C10H9N3O4S/c1-5-7(18-4-11-5)3-13-2-6(9(15)16)8(14)12-10(13)17/h2,4H,3H2,1H3,(H,15,16)(H,12,14,17)
InChIKeyQKRATEAELYOKEE-UHFFFAOYSA-N
MW267.27 g/mol
LogP0.05
Rot. Bonds3

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

1-[(4-methyl-1,3-thiazol-5-yl)methyl]-2,4-dioxopyrimidine-5-carboxylic acid (PubChem CID 79875603) has the molecular formula C10H9N3O4S and a molecular weight of 267.27 g/mol. Its IUPAC name is 1-[(4-methyl-1,3-thiazol-5-yl)methyl]-2,4-dioxopyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name1-[(4-methyl-1,3-thiazol-5-yl)methyl]-2,4-dioxopyrimidine-5-carboxylic acid
PubChem CID79875603
Molecular FormulaC10H9N3O4S
Molecular Weight267.27 g/mol
Exact Mass267.03
IUPAC Name1-[(4-methyl-1,3-thiazol-5-yl)methyl]-2,4-dioxopyrimidine-5-carboxylic acid
SMILESCc1ncsc1Cn1cc(C(=O)O)c(=O)[nH]c1=O
InChIInChI=1S/C10H9N3O4S/c1-5-7(18-4-11-5)3-13-2-6(9(15)16)8(14)12-10(13)17/h2,4H,3H2,1H3,(H,15,16)(H,12,14,17)
InChIKeyQKRATEAELYOKEE-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

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Related Compounds

1-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-oxo-3H-benzimidazole-4-carboxylic acid
CID 115541484
3-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-oxo-1H-benzimidazole-4-carboxylic acid
CID 115931656
1-benzyl-2,4-dioxopyrimidine-5-carboxylic acid
CID 79014884
5-ethyl-6-hydroxy-1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-2,4-dione
CID 112600745
N-methyl-2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]acetamide
CID 77085118
1-[4-(dimethylamino)butyl]-2,4-dioxopyrimidine-5-carboxylic acid
CID 79875074
4-methyl-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]benzoic acid
CID 55035243
4-hydroxy-1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidine-4-carboxylic acid
CID 171682245
5-acetyl-1-benzylpyrimidine-2,4-dione
CID 3334243
3-[(4-methyl-1,3-thiazol-5-yl)methyl]benzimidazole-5-carboxylic acid
CID 82790317
1-[2-[cyclopropyl(methyl)amino]ethyl]-2,4-dioxopyrimidine-5-carboxylic acid
CID 79875782
5-chloro-2-[(4-methyl-1,3-thiazol-5-yl)methoxy]benzoic acid
CID 82105679

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methyl-1,3-thiazol-5-yl)methyl]-2,4-dioxopyrimidine-5-carboxylic acid?
The IUPAC name of 1-[(4-methyl-1,3-thiazol-5-yl)methyl]-2,4-dioxopyrimidine-5-carboxylic acid (CID 79875603) is 1-[(4-methyl-1,3-thiazol-5-yl)methyl]-2,4-dioxopyrimidine-5-carboxylic acid.
What is the SMILES notation for 1-[(4-methyl-1,3-thiazol-5-yl)methyl]-2,4-dioxopyrimidine-5-carboxylic acid?
The canonical SMILES for 1-[(4-methyl-1,3-thiazol-5-yl)methyl]-2,4-dioxopyrimidine-5-carboxylic acid is Cc1ncsc1Cn1cc(C(=O)O)c(=O)[nH]c1=O.
What is the InChIKey of 1-[(4-methyl-1,3-thiazol-5-yl)methyl]-2,4-dioxopyrimidine-5-carboxylic acid?
The InChIKey is QKRATEAELYOKEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O4S/c1-5-7(18-4-11-5)3-13-2-6(9(15)16)8(14)12-10(13)17/h2,4H,3H2,1H3,(H,15,16)(H,12,14,17).
What are the key properties of 1-[(4-methyl-1,3-thiazol-5-yl)methyl]-2,4-dioxopyrimidine-5-carboxylic acid?
1-[(4-methyl-1,3-thiazol-5-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-[(4-methyl-1,3-thiazol-5-yl)methyl]-2,4-dioxopyrimidine-5-carboxylic acid is sourced from PubChem (CID 79875603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).