4-(thiophen-2-ylsulfonylmethyl)-1,3-thiazole-2-carboxylic acid

C9H7NO4S3 — CID 43664544

IUPAC4-(thiophen-2-ylsulfonylmethyl)-1,3-thiazole-2-carboxylic acid
SMILESO=C(O)c1nc(CS(=O)(=O)c2cccs2)cs1
InChIInChI=1S/C9H7NO4S3/c11-9(12)8-10-6(4-16-8)5-17(13,14)7-2-1-3-15-7/h1-4H,5H2,(H,11,12)
InChIKeyAPLVLLKSHVENLK-UHFFFAOYSA-N
MW289.36 g/mol
LogP1.88
Rot. Bonds4

About 4-(thiophen-2-ylsulfonylmethyl)-1,3-thiazole-2-carboxylic acid

4-(thiophen-2-ylsulfonylmethyl)-1,3-thiazole-2-carboxylic acid (PubChem CID 43664544) has the molecular formula C9H7NO4S3 and a molecular weight of 289.36 g/mol. Its IUPAC name is 4-(thiophen-2-ylsulfonylmethyl)-1,3-thiazole-2-carboxylic acid.

Molecular Properties

Compound Name4-(thiophen-2-ylsulfonylmethyl)-1,3-thiazole-2-carboxylic acid
PubChem CID43664544
Molecular FormulaC9H7NO4S3
Molecular Weight289.36 g/mol
Exact Mass288.95
IUPAC Name4-(thiophen-2-ylsulfonylmethyl)-1,3-thiazole-2-carboxylic acid
SMILESO=C(O)c1nc(CS(=O)(=O)c2cccs2)cs1
InChIInChI=1S/C9H7NO4S3/c11-9(12)8-10-6(4-16-8)5-17(13,14)7-2-1-3-15-7/h1-4H,5H2,(H,11,12)
InChIKeyAPLVLLKSHVENLK-UHFFFAOYSA-N
XLogP1.88
TPSA84.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-(thiophen-2-ylsulfonylmethyl)-1,3-thiazole-2-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

4-(methylsulfonylmethyl)-1,3-thiazole-2-carboxylic acid
CID 61023178
4-[(3-methoxyphenyl)sulfonylmethyl]-1,3-thiazole-2-carboxylic acid
CID 43664542
4-ethyl-1,3-thiazole-2-carboxylic acid
CID 39235458
5-(thiophen-2-ylsulfonylmethyl)furan-2-carboxylic acid
CID 28942591
4-(cyclopentylsulfonylmethyl)-1,3-thiazole-2-carboxylic acid
CID 63114532
4-[[(2-methyl-1-thiophen-2-ylpropyl)amino]methyl]-1,3-thiazole-2-carboxylic acid
CID 103244696
3-methyl-5-(thiophen-2-ylsulfonylmethyl)furan-2-carboxylic acid
CID 43621002
4-[(hydroxyamino)methyl]-1,3-thiazole-2-carboxylic acid
CID 103282713
4-[(2,3,6-trimethylphenoxy)methyl]-1,3-thiazole-2-carboxylic acid
CID 43664330
4-[(3-methylsulfonylphenoxy)methyl]-1,3-thiazole-2-carboxylic acid
CID 43806800
4-[2-(thiophen-2-ylsulfonylamino)-1,3-thiazol-4-yl]butanoic acid
CID 80655544
4-[[(4-hydroxyphenyl)methylamino]methyl]-1,3-thiazole-2-carboxylic acid
CID 103268504

Frequently Asked Questions

What is the IUPAC name of 4-(thiophen-2-ylsulfonylmethyl)-1,3-thiazole-2-carboxylic acid?
The IUPAC name of 4-(thiophen-2-ylsulfonylmethyl)-1,3-thiazole-2-carboxylic acid (CID 43664544) is 4-(thiophen-2-ylsulfonylmethyl)-1,3-thiazole-2-carboxylic acid.
What is the SMILES notation for 4-(thiophen-2-ylsulfonylmethyl)-1,3-thiazole-2-carboxylic acid?
The canonical SMILES for 4-(thiophen-2-ylsulfonylmethyl)-1,3-thiazole-2-carboxylic acid is O=C(O)c1nc(CS(=O)(=O)c2cccs2)cs1.
What is the InChIKey of 4-(thiophen-2-ylsulfonylmethyl)-1,3-thiazole-2-carboxylic acid?
The InChIKey is APLVLLKSHVENLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO4S3/c11-9(12)8-10-6(4-16-8)5-17(13,14)7-2-1-3-15-7/h1-4H,5H2,(H,11,12).
What are the key properties of 4-(thiophen-2-ylsulfonylmethyl)-1,3-thiazole-2-carboxylic acid?
4-(thiophen-2-ylsulfonylmethyl)-1,3-thiazole-2-carboxylic acid has a molecular weight of 289.36 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(thiophen-2-ylsulfonylmethyl)-1,3-thiazole-2-carboxylic acid is sourced from PubChem (CID 43664544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).