2-oxo-1,3-thiazole-3-carboxylic acid

C4H3NO3S — CID 18671352

IUPAC2-oxo-1,3-thiazole-3-carboxylic acid
SMILESO=C(O)n1ccsc1=O
InChIInChI=1S/C4H3NO3S/c6-3(7)5-1-2-9-4(5)8/h1-2H,(H,6,7)
InChIKeyLLKBSLSJPBMVNR-UHFFFAOYSA-N
MW145.14 g/mol
LogP0.44
Rot. Bonds

About 2-oxo-1,3-thiazole-3-carboxylic acid

2-oxo-1,3-thiazole-3-carboxylic acid (PubChem CID 18671352) has the molecular formula C4H3NO3S and a molecular weight of 145.14 g/mol. Its IUPAC name is 2-oxo-1,3-thiazole-3-carboxylic acid.

Molecular Properties

Compound Name2-oxo-1,3-thiazole-3-carboxylic acid
PubChem CID18671352
Molecular FormulaC4H3NO3S
Molecular Weight145.14 g/mol
Exact Mass144.98
IUPAC Name2-oxo-1,3-thiazole-3-carboxylic acid
SMILESO=C(O)n1ccsc1=O
InChIInChI=1S/C4H3NO3S/c6-3(7)5-1-2-9-4(5)8/h1-2H,(H,6,7)
InChIKeyLLKBSLSJPBMVNR-UHFFFAOYSA-N
XLogP0.44
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.14
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-1,3-thiazole-3-carboxylic acid?
The IUPAC name of 2-oxo-1,3-thiazole-3-carboxylic acid (CID 18671352) is 2-oxo-1,3-thiazole-3-carboxylic acid.
What is the SMILES notation for 2-oxo-1,3-thiazole-3-carboxylic acid?
The canonical SMILES for 2-oxo-1,3-thiazole-3-carboxylic acid is O=C(O)n1ccsc1=O.
What is the InChIKey of 2-oxo-1,3-thiazole-3-carboxylic acid?
The InChIKey is LLKBSLSJPBMVNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3NO3S/c6-3(7)5-1-2-9-4(5)8/h1-2H,(H,6,7).
What are the key properties of 2-oxo-1,3-thiazole-3-carboxylic acid?
2-oxo-1,3-thiazole-3-carboxylic acid has a molecular weight of 145.14 g/mol, XLogP of 0.44, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-1,3-thiazole-3-carboxylic acid is sourced from PubChem (CID 18671352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).