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

C11H12N2O4S3 — CID 63242077

IUPAC3-methyl-5-[2-(1,3-thiazol-2-yl)ethylsulfamoyl]thiophene-2-carboxylic acid
SMILESCc1cc(S(=O)(=O)NCCc2nccs2)sc1C(=O)O
InChIInChI=1S/C11H12N2O4S3/c1-7-6-9(19-10(7)11(14)15)20(16,17)13-3-2-8-12-4-5-18-8/h4-6,13H,2-3H2,1H3,(H,14,15)
InChIKeyHJINYBRQONGRSD-UHFFFAOYSA-N
MW332.43 g/mol
LogP1.73
Rot. Bonds6

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

3-methyl-5-[2-(1,3-thiazol-2-yl)ethylsulfamoyl]thiophene-2-carboxylic acid (PubChem CID 63242077) has the molecular formula C11H12N2O4S3 and a molecular weight of 332.43 g/mol. Its IUPAC name is 3-methyl-5-[2-(1,3-thiazol-2-yl)ethylsulfamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-methyl-5-[2-(1,3-thiazol-2-yl)ethylsulfamoyl]thiophene-2-carboxylic acid
PubChem CID63242077
Molecular FormulaC11H12N2O4S3
Molecular Weight332.43 g/mol
Exact Mass332.00
IUPAC Name3-methyl-5-[2-(1,3-thiazol-2-yl)ethylsulfamoyl]thiophene-2-carboxylic acid
SMILESCc1cc(S(=O)(=O)NCCc2nccs2)sc1C(=O)O
InChIInChI=1S/C11H12N2O4S3/c1-7-6-9(19-10(7)11(14)15)20(16,17)13-3-2-8-12-4-5-18-8/h4-6,13H,2-3H2,1H3,(H,14,15)
InChIKeyHJINYBRQONGRSD-UHFFFAOYSA-N
XLogP1.73
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[2-(1,3-thiazol-2-yl)ethylsulfamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 3-methyl-5-[2-(1,3-thiazol-2-yl)ethylsulfamoyl]thiophene-2-carboxylic acid (CID 63242077) is 3-methyl-5-[2-(1,3-thiazol-2-yl)ethylsulfamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 3-methyl-5-[2-(1,3-thiazol-2-yl)ethylsulfamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 3-methyl-5-[2-(1,3-thiazol-2-yl)ethylsulfamoyl]thiophene-2-carboxylic acid is Cc1cc(S(=O)(=O)NCCc2nccs2)sc1C(=O)O.
What is the InChIKey of 3-methyl-5-[2-(1,3-thiazol-2-yl)ethylsulfamoyl]thiophene-2-carboxylic acid?
The InChIKey is HJINYBRQONGRSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O4S3/c1-7-6-9(19-10(7)11(14)15)20(16,17)13-3-2-8-12-4-5-18-8/h4-6,13H,2-3H2,1H3,(H,14,15).
What are the key properties of 3-methyl-5-[2-(1,3-thiazol-2-yl)ethylsulfamoyl]thiophene-2-carboxylic acid?
3-methyl-5-[2-(1,3-thiazol-2-yl)ethylsulfamoyl]thiophene-2-carboxylic acid has a molecular weight of 332.43 g/mol, XLogP of 1.73, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[2-(1,3-thiazol-2-yl)ethylsulfamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 63242077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).