4-[(4-acetyl-1,3-thiazol-2-yl)sulfamoyl]-5-methylfuran-2-carboxylic acid

C11H10N2O6S2 — CID 64558473

IUPAC4-[(4-acetyl-1,3-thiazol-2-yl)sulfamoyl]-5-methylfuran-2-carboxylic acid
SMILESCC(=O)c1csc(NS(=O)(=O)c2cc(C(=O)O)oc2C)n1
InChIInChI=1S/C11H10N2O6S2/c1-5(14)7-4-20-11(12-7)13-21(17,18)9-3-8(10(15)16)19-6(9)2/h3-4H,1-2H3,(H,12,13)(H,15,16)
InChIKeyAAGHBYJRBXDWTB-UHFFFAOYSA-N
MW330.34 g/mol
LogP1.75
Rot. Bonds5

About 4-[(4-acetyl-1,3-thiazol-2-yl)sulfamoyl]-5-methylfuran-2-carboxylic acid

4-[(4-acetyl-1,3-thiazol-2-yl)sulfamoyl]-5-methylfuran-2-carboxylic acid (PubChem CID 64558473) has the molecular formula C11H10N2O6S2 and a molecular weight of 330.34 g/mol. Its IUPAC name is 4-[(4-acetyl-1,3-thiazol-2-yl)sulfamoyl]-5-methylfuran-2-carboxylic acid.

Molecular Properties

Compound Name4-[(4-acetyl-1,3-thiazol-2-yl)sulfamoyl]-5-methylfuran-2-carboxylic acid
PubChem CID64558473
Molecular FormulaC11H10N2O6S2
Molecular Weight330.34 g/mol
Exact Mass330.00
IUPAC Name4-[(4-acetyl-1,3-thiazol-2-yl)sulfamoyl]-5-methylfuran-2-carboxylic acid
SMILESCC(=O)c1csc(NS(=O)(=O)c2cc(C(=O)O)oc2C)n1
InChIInChI=1S/C11H10N2O6S2/c1-5(14)7-4-20-11(12-7)13-21(17,18)9-3-8(10(15)16)19-6(9)2/h3-4H,1-2H3,(H,12,13)(H,15,16)
InChIKeyAAGHBYJRBXDWTB-UHFFFAOYSA-N
XLogP1.75
TPSA126.57 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-[(4-acetyl-1,3-thiazol-2-yl)sulfamoyl]-5-methylfuran-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 4-[(4-acetyl-1,3-thiazol-2-yl)sulfamoyl]-5-methylfuran-2-carboxylic acid?
The IUPAC name of 4-[(4-acetyl-1,3-thiazol-2-yl)sulfamoyl]-5-methylfuran-2-carboxylic acid (CID 64558473) is 4-[(4-acetyl-1,3-thiazol-2-yl)sulfamoyl]-5-methylfuran-2-carboxylic acid.
What is the SMILES notation for 4-[(4-acetyl-1,3-thiazol-2-yl)sulfamoyl]-5-methylfuran-2-carboxylic acid?
The canonical SMILES for 4-[(4-acetyl-1,3-thiazol-2-yl)sulfamoyl]-5-methylfuran-2-carboxylic acid is CC(=O)c1csc(NS(=O)(=O)c2cc(C(=O)O)oc2C)n1.
What is the InChIKey of 4-[(4-acetyl-1,3-thiazol-2-yl)sulfamoyl]-5-methylfuran-2-carboxylic acid?
The InChIKey is AAGHBYJRBXDWTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O6S2/c1-5(14)7-4-20-11(12-7)13-21(17,18)9-3-8(10(15)16)19-6(9)2/h3-4H,1-2H3,(H,12,13)(H,15,16).
What are the key properties of 4-[(4-acetyl-1,3-thiazol-2-yl)sulfamoyl]-5-methylfuran-2-carboxylic acid?
4-[(4-acetyl-1,3-thiazol-2-yl)sulfamoyl]-5-methylfuran-2-carboxylic acid has a molecular weight of 330.34 g/mol, XLogP of 1.75, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-acetyl-1,3-thiazol-2-yl)sulfamoyl]-5-methylfuran-2-carboxylic acid is sourced from PubChem (CID 64558473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).