2-(hydroxymethyl)-1,3-thiazole-5-carboxylic acid

C5H5NO3S — CID 22025292

IUPAC2-(hydroxymethyl)-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1cnc(CO)s1
InChIInChI=1S/C5H5NO3S/c7-2-4-6-1-3(10-4)5(8)9/h1,7H,2H2,(H,8,9)
InChIKeyOPSZXGOORISTNR-UHFFFAOYSA-N
MW159.17 g/mol
LogP0.33
Rot. Bonds2

About 2-(hydroxymethyl)-1,3-thiazole-5-carboxylic acid

2-(hydroxymethyl)-1,3-thiazole-5-carboxylic acid (PubChem CID 22025292) has the molecular formula C5H5NO3S and a molecular weight of 159.17 g/mol. Its IUPAC name is 2-(hydroxymethyl)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(hydroxymethyl)-1,3-thiazole-5-carboxylic acid
PubChem CID22025292
Molecular FormulaC5H5NO3S
Molecular Weight159.17 g/mol
Exact Mass159.00
IUPAC Name2-(hydroxymethyl)-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1cnc(CO)s1
InChIInChI=1S/C5H5NO3S/c7-2-4-6-1-3(10-4)5(8)9/h1,7H,2H2,(H,8,9)
InChIKeyOPSZXGOORISTNR-UHFFFAOYSA-N
XLogP0.33
TPSA70.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.17
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-(hydroxymethyl)-1,3-thiazole-5-carboxylic acid (CID 22025292) is 2-(hydroxymethyl)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-(hydroxymethyl)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-(hydroxymethyl)-1,3-thiazole-5-carboxylic acid is O=C(O)c1cnc(CO)s1.
What is the InChIKey of 2-(hydroxymethyl)-1,3-thiazole-5-carboxylic acid?
The InChIKey is OPSZXGOORISTNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5NO3S/c7-2-4-6-1-3(10-4)5(8)9/h1,7H,2H2,(H,8,9).
What are the key properties of 2-(hydroxymethyl)-1,3-thiazole-5-carboxylic acid?
2-(hydroxymethyl)-1,3-thiazole-5-carboxylic acid has a molecular weight of 159.17 g/mol, XLogP of 0.33, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 22025292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).