5-[2-(1,3-thiazol-2-yl)ethylsulfamoyl]thiophene-3-carboxylic acid

C10H10N2O4S3 — CID 55174446

IUPAC5-[2-(1,3-thiazol-2-yl)ethylsulfamoyl]thiophene-3-carboxylic acid
SMILESO=C(O)c1csc(S(=O)(=O)NCCc2nccs2)c1
InChIInChI=1S/C10H10N2O4S3/c13-10(14)7-5-9(18-6-7)19(15,16)12-2-1-8-11-3-4-17-8/h3-6,12H,1-2H2,(H,13,14)
InChIKeyMNBOZJAWEXSXFT-UHFFFAOYSA-N
MW318.40 g/mol
LogP1.42
Rot. Bonds6

About 5-[2-(1,3-thiazol-2-yl)ethylsulfamoyl]thiophene-3-carboxylic acid

5-[2-(1,3-thiazol-2-yl)ethylsulfamoyl]thiophene-3-carboxylic acid (PubChem CID 55174446) has the molecular formula C10H10N2O4S3 and a molecular weight of 318.40 g/mol. Its IUPAC name is 5-[2-(1,3-thiazol-2-yl)ethylsulfamoyl]thiophene-3-carboxylic acid.

Molecular Properties

Compound Name5-[2-(1,3-thiazol-2-yl)ethylsulfamoyl]thiophene-3-carboxylic acid
PubChem CID55174446
Molecular FormulaC10H10N2O4S3
Molecular Weight318.40 g/mol
Exact Mass317.98
IUPAC Name5-[2-(1,3-thiazol-2-yl)ethylsulfamoyl]thiophene-3-carboxylic acid
SMILESO=C(O)c1csc(S(=O)(=O)NCCc2nccs2)c1
InChIInChI=1S/C10H10N2O4S3/c13-10(14)7-5-9(18-6-7)19(15,16)12-2-1-8-11-3-4-17-8/h3-6,12H,1-2H2,(H,13,14)
InChIKeyMNBOZJAWEXSXFT-UHFFFAOYSA-N
XLogP1.42
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-[2-(1,3-thiazol-2-yl)ethylsulfamoyl]thiophene-3-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-[2-(1,3-thiazol-2-yl)ethylsulfamoyl]thiophene-3-carboxylic acid?
The IUPAC name of 5-[2-(1,3-thiazol-2-yl)ethylsulfamoyl]thiophene-3-carboxylic acid (CID 55174446) is 5-[2-(1,3-thiazol-2-yl)ethylsulfamoyl]thiophene-3-carboxylic acid.
What is the SMILES notation for 5-[2-(1,3-thiazol-2-yl)ethylsulfamoyl]thiophene-3-carboxylic acid?
The canonical SMILES for 5-[2-(1,3-thiazol-2-yl)ethylsulfamoyl]thiophene-3-carboxylic acid is O=C(O)c1csc(S(=O)(=O)NCCc2nccs2)c1.
What is the InChIKey of 5-[2-(1,3-thiazol-2-yl)ethylsulfamoyl]thiophene-3-carboxylic acid?
The InChIKey is MNBOZJAWEXSXFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O4S3/c13-10(14)7-5-9(18-6-7)19(15,16)12-2-1-8-11-3-4-17-8/h3-6,12H,1-2H2,(H,13,14).
What are the key properties of 5-[2-(1,3-thiazol-2-yl)ethylsulfamoyl]thiophene-3-carboxylic acid?
5-[2-(1,3-thiazol-2-yl)ethylsulfamoyl]thiophene-3-carboxylic acid has a molecular weight of 318.40 g/mol, XLogP of 1.42, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(1,3-thiazol-2-yl)ethylsulfamoyl]thiophene-3-carboxylic acid is sourced from PubChem (CID 55174446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).