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

C11H10N4O4S — CID 60869768

IUPAC3-methyl-5-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]-1,2-thiazole-4-carboxylic acid
SMILESCc1nsc(NC(=O)Cn2cccnc2=O)c1C(=O)O
InChIInChI=1S/C11H10N4O4S/c1-6-8(10(17)18)9(20-14-6)13-7(16)5-15-4-2-3-12-11(15)19/h2-4H,5H2,1H3,(H,13,16)(H,17,18)
InChIKeyIQZPCDQTKLLVFV-UHFFFAOYSA-N
MW294.29 g/mol
LogP0.35
Rot. Bonds4

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

3-methyl-5-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]-1,2-thiazole-4-carboxylic acid (PubChem CID 60869768) has the molecular formula C11H10N4O4S and a molecular weight of 294.29 g/mol. Its IUPAC name is 3-methyl-5-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]-1,2-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name3-methyl-5-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]-1,2-thiazole-4-carboxylic acid
PubChem CID60869768
Molecular FormulaC11H10N4O4S
Molecular Weight294.29 g/mol
Exact Mass294.04
IUPAC Name3-methyl-5-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]-1,2-thiazole-4-carboxylic acid
SMILESCc1nsc(NC(=O)Cn2cccnc2=O)c1C(=O)O
InChIInChI=1S/C11H10N4O4S/c1-6-8(10(17)18)9(20-14-6)13-7(16)5-15-4-2-3-12-11(15)19/h2-4H,5H2,1H3,(H,13,16)(H,17,18)
InChIKeyIQZPCDQTKLLVFV-UHFFFAOYSA-N
XLogP0.35
TPSA114.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.29
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-methyl-5-(3-pyrazol-1-ylpropanoylamino)-1,2-thiazole-4-carboxylic acid
CID 60868636
2-(2-oxopyrimidin-1-yl)-N-pyridin-4-ylacetamide
CID 39954106
3-methyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]benzoic acid
CID 43358338
4-methyl-3-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]benzoic acid
CID 43355938
3-methyl-5-(3-methylpentanoylamino)-1,2-thiazole-4-carboxylic acid
CID 114873656
2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoic acid
CID 43355310
3-hydroxy-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]butanoic acid
CID 43353680
5-[[2-(4-bromophenoxy)acetyl]amino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 60869760
5-[(3-amino-3-methylbutanoyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 79402261
5-[[2-(2-methoxyethylsulfanyl)acetyl]amino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 60869578
2-hydroxy-4-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]benzoic acid
CID 43358285
3-fluoro-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]benzoic acid
CID 81495087

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]-1,2-thiazole-4-carboxylic acid?
The IUPAC name of 3-methyl-5-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]-1,2-thiazole-4-carboxylic acid (CID 60869768) is 3-methyl-5-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]-1,2-thiazole-4-carboxylic acid.
What is the SMILES notation for 3-methyl-5-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]-1,2-thiazole-4-carboxylic acid?
The canonical SMILES for 3-methyl-5-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]-1,2-thiazole-4-carboxylic acid is Cc1nsc(NC(=O)Cn2cccnc2=O)c1C(=O)O.
What is the InChIKey of 3-methyl-5-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]-1,2-thiazole-4-carboxylic acid?
The InChIKey is IQZPCDQTKLLVFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O4S/c1-6-8(10(17)18)9(20-14-6)13-7(16)5-15-4-2-3-12-11(15)19/h2-4H,5H2,1H3,(H,13,16)(H,17,18).
What are the key properties of 3-methyl-5-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]-1,2-thiazole-4-carboxylic acid?
3-methyl-5-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]-1,2-thiazole-4-carboxylic acid has a molecular weight of 294.29 g/mol, XLogP of 0.35, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]-1,2-thiazole-4-carboxylic acid is sourced from PubChem (CID 60869768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).