5-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)sulfamoyl]furan-2-carboxylic acid

C11H12N2O5S2 — CID 61473108

IUPAC5-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)sulfamoyl]furan-2-carboxylic acid
SMILESCCc1nc(NS(=O)(=O)c2ccc(C(=O)O)o2)sc1C
InChIInChI=1S/C11H12N2O5S2/c1-3-7-6(2)19-11(12-7)13-20(16,17)9-5-4-8(18-9)10(14)15/h4-5H,3H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyWYXUCJFSJYTSLZ-UHFFFAOYSA-N
MW316.36 g/mol
LogP2.11
Rot. Bonds5

About 5-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)sulfamoyl]furan-2-carboxylic acid

5-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)sulfamoyl]furan-2-carboxylic acid (PubChem CID 61473108) has the molecular formula C11H12N2O5S2 and a molecular weight of 316.36 g/mol. Its IUPAC name is 5-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)sulfamoyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)sulfamoyl]furan-2-carboxylic acid
PubChem CID61473108
Molecular FormulaC11H12N2O5S2
Molecular Weight316.36 g/mol
Exact Mass316.02
IUPAC Name5-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)sulfamoyl]furan-2-carboxylic acid
SMILESCCc1nc(NS(=O)(=O)c2ccc(C(=O)O)o2)sc1C
InChIInChI=1S/C11H12N2O5S2/c1-3-7-6(2)19-11(12-7)13-20(16,17)9-5-4-8(18-9)10(14)15/h4-5H,3H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyWYXUCJFSJYTSLZ-UHFFFAOYSA-N
XLogP2.11
TPSA109.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)sulfamoyl]furan-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

Frequently Asked Questions

What is the IUPAC name of 5-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)sulfamoyl]furan-2-carboxylic acid?
The IUPAC name of 5-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)sulfamoyl]furan-2-carboxylic acid (CID 61473108) is 5-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)sulfamoyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)sulfamoyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)sulfamoyl]furan-2-carboxylic acid is CCc1nc(NS(=O)(=O)c2ccc(C(=O)O)o2)sc1C.
What is the InChIKey of 5-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)sulfamoyl]furan-2-carboxylic acid?
The InChIKey is WYXUCJFSJYTSLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O5S2/c1-3-7-6(2)19-11(12-7)13-20(16,17)9-5-4-8(18-9)10(14)15/h4-5H,3H2,1-2H3,(H,12,13)(H,14,15).
What are the key properties of 5-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)sulfamoyl]furan-2-carboxylic acid?
5-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)sulfamoyl]furan-2-carboxylic acid has a molecular weight of 316.36 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)sulfamoyl]furan-2-carboxylic acid is sourced from PubChem (CID 61473108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).