4-[(5-methyl-2-oxopyrimidin-1-yl)methyl]-1,3-thiazole-2-carboxylic acid

C10H9N3O3S — CID 63205980

IUPAC4-[(5-methyl-2-oxopyrimidin-1-yl)methyl]-1,3-thiazole-2-carboxylic acid
SMILESCc1cnc(=O)n(Cc2csc(C(=O)O)n2)c1
InChIInChI=1S/C10H9N3O3S/c1-6-2-11-10(16)13(3-6)4-7-5-17-8(12-7)9(14)15/h2-3,5H,4H2,1H3,(H,14,15)
InChIKeyFSSJSJKABADJIP-UHFFFAOYSA-N
MW251.27 g/mol
LogP0.75
Rot. Bonds3

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

4-[(5-methyl-2-oxopyrimidin-1-yl)methyl]-1,3-thiazole-2-carboxylic acid (PubChem CID 63205980) has the molecular formula C10H9N3O3S and a molecular weight of 251.27 g/mol. Its IUPAC name is 4-[(5-methyl-2-oxopyrimidin-1-yl)methyl]-1,3-thiazole-2-carboxylic acid.

Molecular Properties

Compound Name4-[(5-methyl-2-oxopyrimidin-1-yl)methyl]-1,3-thiazole-2-carboxylic acid
PubChem CID63205980
Molecular FormulaC10H9N3O3S
Molecular Weight251.27 g/mol
Exact Mass251.04
IUPAC Name4-[(5-methyl-2-oxopyrimidin-1-yl)methyl]-1,3-thiazole-2-carboxylic acid
SMILESCc1cnc(=O)n(Cc2csc(C(=O)O)n2)c1
InChIInChI=1S/C10H9N3O3S/c1-6-2-11-10(16)13(3-6)4-7-5-17-8(12-7)9(14)15/h2-3,5H,4H2,1H3,(H,14,15)
InChIKeyFSSJSJKABADJIP-UHFFFAOYSA-N
XLogP0.75
TPSA85.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.27
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(5-bromo-4-methyl-6-oxopyrimidin-1-yl)methyl]-1,3-thiazole-2-carboxylic acid
CID 66308737
4-[(2-oxo-1,3-thiazol-3-yl)methyl]-1,3-thiazole-2-carboxylic acid
CID 63312694
4-ethyl-1,3-thiazole-2-carboxylic acid
CID 39235458
4-[(4-methylsulfonylpyrazol-1-yl)methyl]-1,3-thiazole-2-carboxylic acid
CID 165472172
4-(azetidin-1-ylmethyl)-1,3-thiazole-2-carboxylic acid
CID 130547609
4-(methylsulfonylmethyl)-1,3-thiazole-2-carboxylic acid
CID 61023178
4-[(7-ethylindol-1-yl)methyl]-1,3-thiazole-2-carboxylic acid
CID 43664492
4-(pyrazol-1-ylmethyl)-1,3-thiazole-2-carboxylic acid
CID 43664440
4-[(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)methyl]-1,3-thiazole-2-carboxylic acid
CID 65301708
4-(methylsulfanylmethyl)-1,3-thiazole-2-carboxylic acid
CID 61024778
4-methoxy-3-[(5-methyl-2-oxopyrimidin-1-yl)methyl]benzoic acid
CID 63206349
4-[(5-ethyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)methyl]-1,3-thiazole-2-carboxylic acid
CID 114512905

Frequently Asked Questions

What is the IUPAC name of 4-[(5-methyl-2-oxopyrimidin-1-yl)methyl]-1,3-thiazole-2-carboxylic acid?
The IUPAC name of 4-[(5-methyl-2-oxopyrimidin-1-yl)methyl]-1,3-thiazole-2-carboxylic acid (CID 63205980) is 4-[(5-methyl-2-oxopyrimidin-1-yl)methyl]-1,3-thiazole-2-carboxylic acid.
What is the SMILES notation for 4-[(5-methyl-2-oxopyrimidin-1-yl)methyl]-1,3-thiazole-2-carboxylic acid?
The canonical SMILES for 4-[(5-methyl-2-oxopyrimidin-1-yl)methyl]-1,3-thiazole-2-carboxylic acid is Cc1cnc(=O)n(Cc2csc(C(=O)O)n2)c1.
What is the InChIKey of 4-[(5-methyl-2-oxopyrimidin-1-yl)methyl]-1,3-thiazole-2-carboxylic acid?
The InChIKey is FSSJSJKABADJIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O3S/c1-6-2-11-10(16)13(3-6)4-7-5-17-8(12-7)9(14)15/h2-3,5H,4H2,1H3,(H,14,15).
What are the key properties of 4-[(5-methyl-2-oxopyrimidin-1-yl)methyl]-1,3-thiazole-2-carboxylic acid?
4-[(5-methyl-2-oxopyrimidin-1-yl)methyl]-1,3-thiazole-2-carboxylic acid has a molecular weight of 251.27 g/mol, XLogP of 0.75, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-methyl-2-oxopyrimidin-1-yl)methyl]-1,3-thiazole-2-carboxylic acid is sourced from PubChem (CID 63205980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).