4-methyl-1,3-thiazole-2-carboxylic acid

C5H5NO2S — CID 22499336

IUPAC4-methyl-1,3-thiazole-2-carboxylic acid
SMILESCc1csc(C(=O)O)n1
InChIInChI=1S/C5H5NO2S/c1-3-2-9-4(6-3)5(7)8/h2H,1H3,(H,7,8)
InChIKeyGNGDWDFLILPTKL-UHFFFAOYSA-N
MW143.17 g/mol
LogP1.15
Rot. Bonds1

About 4-methyl-1,3-thiazole-2-carboxylic acid

4-methyl-1,3-thiazole-2-carboxylic acid (PubChem CID 22499336) has the molecular formula C5H5NO2S and a molecular weight of 143.17 g/mol. Its IUPAC name is 4-methyl-1,3-thiazole-2-carboxylic acid.

Molecular Properties

Compound Name4-methyl-1,3-thiazole-2-carboxylic acid
PubChem CID22499336
Molecular FormulaC5H5NO2S
Molecular Weight143.17 g/mol
Exact Mass143.00
IUPAC Name4-methyl-1,3-thiazole-2-carboxylic acid
SMILESCc1csc(C(=O)O)n1
InChIInChI=1S/C5H5NO2S/c1-3-2-9-4(6-3)5(7)8/h2H,1H3,(H,7,8)
InChIKeyGNGDWDFLILPTKL-UHFFFAOYSA-N
XLogP1.15
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.17
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1,3-thiazole-2-carboxylic acid?
The IUPAC name of 4-methyl-1,3-thiazole-2-carboxylic acid (CID 22499336) is 4-methyl-1,3-thiazole-2-carboxylic acid.
What is the SMILES notation for 4-methyl-1,3-thiazole-2-carboxylic acid?
The canonical SMILES for 4-methyl-1,3-thiazole-2-carboxylic acid is Cc1csc(C(=O)O)n1.
What is the InChIKey of 4-methyl-1,3-thiazole-2-carboxylic acid?
The InChIKey is GNGDWDFLILPTKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5NO2S/c1-3-2-9-4(6-3)5(7)8/h2H,1H3,(H,7,8).
What are the key properties of 4-methyl-1,3-thiazole-2-carboxylic acid?
4-methyl-1,3-thiazole-2-carboxylic acid has a molecular weight of 143.17 g/mol, XLogP of 1.15, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1,3-thiazole-2-carboxylic acid is sourced from PubChem (CID 22499336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).