5-hydroxy-2H-1,3-thiazole-3-carboxylic acid

C4H5NO3S — CID 68952111

IUPAC5-hydroxy-2H-1,3-thiazole-3-carboxylic acid
SMILESO=C(O)N1C=C(O)SC1
InChIInChI=1S/C4H5NO3S/c6-3-1-5(2-9-3)4(7)8/h1,6H,2H2,(H,7,8)
InChIKeyWAHCCECQVKUYMH-UHFFFAOYSA-N
MW147.16 g/mol
LogP1.03
Rot. Bonds

About 5-hydroxy-2H-1,3-thiazole-3-carboxylic acid

5-hydroxy-2H-1,3-thiazole-3-carboxylic acid (PubChem CID 68952111) has the molecular formula C4H5NO3S and a molecular weight of 147.16 g/mol. Its IUPAC name is 5-hydroxy-2H-1,3-thiazole-3-carboxylic acid.

Molecular Properties

Compound Name5-hydroxy-2H-1,3-thiazole-3-carboxylic acid
PubChem CID68952111
Molecular FormulaC4H5NO3S
Molecular Weight147.16 g/mol
Exact Mass147.00
IUPAC Name5-hydroxy-2H-1,3-thiazole-3-carboxylic acid
SMILESO=C(O)N1C=C(O)SC1
InChIInChI=1S/C4H5NO3S/c6-3-1-5(2-9-3)4(7)8/h1,6H,2H2,(H,7,8)
InChIKeyWAHCCECQVKUYMH-UHFFFAOYSA-N
XLogP1.03
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.16
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Thiazole-3-carboxylic acid
CID 22930385
2-Oxo-1,3-thiazole-3-carboxylic acid
CID 18671352
2H-1,3-thiazole-3-carboxylic acid;hydrochloride
CID 66980836
azane;5-hydroxy-2H-1,3-thiazole-3-carboxylic acid
CID 68952110
2H-1,3-thiazole-3-carboxylic acid;dihydrochloride
CID 69153549
2H-1,3-thiazole-3-carboxylic acid;hydrobromide
CID 69699407
3-Ethenyl-4-hydroxy-1,3-thiazol-2-one
CID 91061233
3-Ethyl-5-hydroxy-1,3-thiazol-2-one
CID 91228450
3-Ethenyl-5-hydroxy-1,3-thiazol-2-one
CID 91280927
5-Hydroxy-3-methyl-1,3-thiazol-2-one
CID 91301993
5-bromo-2H-1,3-thiazole-3-carboxylic acid
CID 141238500
1-carboxy-2H-1,3-thiazol-1-ium-3-carboxylate
CID 172718868

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2H-1,3-thiazole-3-carboxylic acid?
The IUPAC name of 5-hydroxy-2H-1,3-thiazole-3-carboxylic acid (CID 68952111) is 5-hydroxy-2H-1,3-thiazole-3-carboxylic acid.
What is the SMILES notation for 5-hydroxy-2H-1,3-thiazole-3-carboxylic acid?
The canonical SMILES for 5-hydroxy-2H-1,3-thiazole-3-carboxylic acid is O=C(O)N1C=C(O)SC1.
What is the InChIKey of 5-hydroxy-2H-1,3-thiazole-3-carboxylic acid?
The InChIKey is WAHCCECQVKUYMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5NO3S/c6-3-1-5(2-9-3)4(7)8/h1,6H,2H2,(H,7,8).
What are the key properties of 5-hydroxy-2H-1,3-thiazole-3-carboxylic acid?
5-hydroxy-2H-1,3-thiazole-3-carboxylic acid has a molecular weight of 147.16 g/mol, XLogP of 1.03, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2H-1,3-thiazole-3-carboxylic acid is sourced from PubChem (CID 68952111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).