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

C4H3NO3S — CID 66579087

IUPAC4-hydroxy-1,3-thiazole-2-carboxylic acid
SMILESO=C(O)c1nc(O)cs1
InChIInChI=1S/C4H3NO3S/c6-2-1-9-3(5-2)4(7)8/h1,6H,(H,7,8)
InChIKeyRBIUPYPRDAXVBJ-UHFFFAOYSA-N
MW145.14 g/mol
LogP0.55
Rot. Bonds1

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

4-hydroxy-1,3-thiazole-2-carboxylic acid (PubChem CID 66579087) has the molecular formula C4H3NO3S and a molecular weight of 145.14 g/mol. Its IUPAC name is 4-hydroxy-1,3-thiazole-2-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-1,3-thiazole-2-carboxylic acid
PubChem CID66579087
Molecular FormulaC4H3NO3S
Molecular Weight145.14 g/mol
Exact Mass144.98
IUPAC Name4-hydroxy-1,3-thiazole-2-carboxylic acid
SMILESO=C(O)c1nc(O)cs1
InChIInChI=1S/C4H3NO3S/c6-2-1-9-3(5-2)4(7)8/h1,6H,(H,7,8)
InChIKeyRBIUPYPRDAXVBJ-UHFFFAOYSA-N
XLogP0.55
TPSA70.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.14
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1,3-thiazole-2-carboxylic acid?
The IUPAC name of 4-hydroxy-1,3-thiazole-2-carboxylic acid (CID 66579087) is 4-hydroxy-1,3-thiazole-2-carboxylic acid.
What is the SMILES notation for 4-hydroxy-1,3-thiazole-2-carboxylic acid?
The canonical SMILES for 4-hydroxy-1,3-thiazole-2-carboxylic acid is O=C(O)c1nc(O)cs1.
What is the InChIKey of 4-hydroxy-1,3-thiazole-2-carboxylic acid?
The InChIKey is RBIUPYPRDAXVBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3NO3S/c6-2-1-9-3(5-2)4(7)8/h1,6H,(H,7,8).
What are the key properties of 4-hydroxy-1,3-thiazole-2-carboxylic acid?
4-hydroxy-1,3-thiazole-2-carboxylic acid has a molecular weight of 145.14 g/mol, XLogP of 0.55, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1,3-thiazole-2-carboxylic acid is sourced from PubChem (CID 66579087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).