2-methylsulfonyl-1,3-thiazole-5-carboxylic acid

C5H5NO4S2 — CID 117190345

IUPAC2-methylsulfonyl-1,3-thiazole-5-carboxylic acid
SMILESCS(=O)(=O)c1ncc(C(=O)O)s1
InChIInChI=1S/C5H5NO4S2/c1-12(9,10)5-6-2-3(11-5)4(7)8/h2H,1H3,(H,7,8)
InChIKeyZPTBDTYBHAFYBN-UHFFFAOYSA-N
MW207.23 g/mol
LogP0.24
Rot. Bonds2

About 2-methylsulfonyl-1,3-thiazole-5-carboxylic acid

2-methylsulfonyl-1,3-thiazole-5-carboxylic acid (PubChem CID 117190345) has the molecular formula C5H5NO4S2 and a molecular weight of 207.23 g/mol. Its IUPAC name is 2-methylsulfonyl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-methylsulfonyl-1,3-thiazole-5-carboxylic acid
PubChem CID117190345
Molecular FormulaC5H5NO4S2
Molecular Weight207.23 g/mol
Exact Mass206.97
IUPAC Name2-methylsulfonyl-1,3-thiazole-5-carboxylic acid
SMILESCS(=O)(=O)c1ncc(C(=O)O)s1
InChIInChI=1S/C5H5NO4S2/c1-12(9,10)5-6-2-3(11-5)4(7)8/h2H,1H3,(H,7,8)
InChIKeyZPTBDTYBHAFYBN-UHFFFAOYSA-N
XLogP0.24
TPSA84.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-methylsulfonyl-1,3-thiazole-5-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Tizoprolic Acid
CID 65773
5-Thiazolecarboxylic acid, 2-methyl-
CID 98845
5-Thiazolecarboxylic acid, 2-ethyl-
CID 207755
2-Chloro-thiazole-5-carboxylic acid
CID 1481389
Thiazole-5-carboxylic acid
CID 84494
2-(Methylsulfanyl)-1,3-thiazole-5-carboxylic acid
CID 58688333
2-(1,1-Dimethylethyl)-5-thiazolecarboxylic acid
CID 19885529
2-Bromothiazole-5-carboxylic acid
CID 2763210
2-Methoxy-1,3-thiazole-5-carboxylic acid
CID 16494897
2-Ethoxy-1,3-thiazole-5-carboxylic acid
CID 16494898
2-(Propan-2-yl)-1,3-thiazole-5-carboxylic acid
CID 19786342
2-Fluoro-5-thiazolecarboxylic acid
CID 19885491

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfonyl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-methylsulfonyl-1,3-thiazole-5-carboxylic acid (CID 117190345) is 2-methylsulfonyl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-methylsulfonyl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-methylsulfonyl-1,3-thiazole-5-carboxylic acid is CS(=O)(=O)c1ncc(C(=O)O)s1.
What is the InChIKey of 2-methylsulfonyl-1,3-thiazole-5-carboxylic acid?
The InChIKey is ZPTBDTYBHAFYBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5NO4S2/c1-12(9,10)5-6-2-3(11-5)4(7)8/h2H,1H3,(H,7,8).
What are the key properties of 2-methylsulfonyl-1,3-thiazole-5-carboxylic acid?
2-methylsulfonyl-1,3-thiazole-5-carboxylic acid has a molecular weight of 207.23 g/mol, XLogP of 0.24, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfonyl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 117190345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).