2-(hydroxymethyl)-4-methyl-1,3-thiazole-5-carboxylic acid

C6H7NO3S — CID 82668458

IUPAC2-(hydroxymethyl)-4-methyl-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(CO)sc1C(=O)O
InChIInChI=1S/C6H7NO3S/c1-3-5(6(9)10)11-4(2-8)7-3/h8H,2H2,1H3,(H,9,10)
InChIKeyQISGTVFTDHJGLX-UHFFFAOYSA-N
MW173.19 g/mol
LogP0.64
Rot. Bonds2

About 2-(hydroxymethyl)-4-methyl-1,3-thiazole-5-carboxylic acid

2-(hydroxymethyl)-4-methyl-1,3-thiazole-5-carboxylic acid (PubChem CID 82668458) has the molecular formula C6H7NO3S and a molecular weight of 173.19 g/mol. Its IUPAC name is 2-(hydroxymethyl)-4-methyl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(hydroxymethyl)-4-methyl-1,3-thiazole-5-carboxylic acid
PubChem CID82668458
Molecular FormulaC6H7NO3S
Molecular Weight173.19 g/mol
Exact Mass173.01
IUPAC Name2-(hydroxymethyl)-4-methyl-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(CO)sc1C(=O)O
InChIInChI=1S/C6H7NO3S/c1-3-5(6(9)10)11-4(2-8)7-3/h8H,2H2,1H3,(H,9,10)
InChIKeyQISGTVFTDHJGLX-UHFFFAOYSA-N
XLogP0.64
TPSA70.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.19
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-4-methyl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-(hydroxymethyl)-4-methyl-1,3-thiazole-5-carboxylic acid (CID 82668458) is 2-(hydroxymethyl)-4-methyl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-(hydroxymethyl)-4-methyl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-(hydroxymethyl)-4-methyl-1,3-thiazole-5-carboxylic acid is Cc1nc(CO)sc1C(=O)O.
What is the InChIKey of 2-(hydroxymethyl)-4-methyl-1,3-thiazole-5-carboxylic acid?
The InChIKey is QISGTVFTDHJGLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO3S/c1-3-5(6(9)10)11-4(2-8)7-3/h8H,2H2,1H3,(H,9,10).
What are the key properties of 2-(hydroxymethyl)-4-methyl-1,3-thiazole-5-carboxylic acid?
2-(hydroxymethyl)-4-methyl-1,3-thiazole-5-carboxylic acid has a molecular weight of 173.19 g/mol, XLogP of 0.64, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-4-methyl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 82668458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).