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

C11H12N2O4S3 — CID 75456984

IUPAC5-[2-(1,3-thiazol-2-yl)propan-2-ylsulfamoyl]thiophene-3-carboxylic acid
SMILESCC(C)(NS(=O)(=O)c1cc(C(=O)O)cs1)c1nccs1
InChIInChI=1S/C11H12N2O4S3/c1-11(2,10-12-3-4-18-10)13-20(16,17)8-5-7(6-19-8)9(14)15/h3-6,13H,1-2H3,(H,14,15)
InChIKeyNPSCDYHHAYQBMY-UHFFFAOYSA-N
MW332.43 g/mol
LogP2.12
Rot. Bonds5

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

5-[2-(1,3-thiazol-2-yl)propan-2-ylsulfamoyl]thiophene-3-carboxylic acid (PubChem CID 75456984) has the molecular formula C11H12N2O4S3 and a molecular weight of 332.43 g/mol. Its IUPAC name is 5-[2-(1,3-thiazol-2-yl)propan-2-ylsulfamoyl]thiophene-3-carboxylic acid.

Molecular Properties

Compound Name5-[2-(1,3-thiazol-2-yl)propan-2-ylsulfamoyl]thiophene-3-carboxylic acid
PubChem CID75456984
Molecular FormulaC11H12N2O4S3
Molecular Weight332.43 g/mol
Exact Mass332.00
IUPAC Name5-[2-(1,3-thiazol-2-yl)propan-2-ylsulfamoyl]thiophene-3-carboxylic acid
SMILESCC(C)(NS(=O)(=O)c1cc(C(=O)O)cs1)c1nccs1
InChIInChI=1S/C11H12N2O4S3/c1-11(2,10-12-3-4-18-10)13-20(16,17)8-5-7(6-19-8)9(14)15/h3-6,13H,1-2H3,(H,14,15)
InChIKeyNPSCDYHHAYQBMY-UHFFFAOYSA-N
XLogP2.12
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(1,3-thiazol-2-yl)propan-2-ylsulfamoyl]thiophene-3-carboxylic acid?
The IUPAC name of 5-[2-(1,3-thiazol-2-yl)propan-2-ylsulfamoyl]thiophene-3-carboxylic acid (CID 75456984) is 5-[2-(1,3-thiazol-2-yl)propan-2-ylsulfamoyl]thiophene-3-carboxylic acid.
What is the SMILES notation for 5-[2-(1,3-thiazol-2-yl)propan-2-ylsulfamoyl]thiophene-3-carboxylic acid?
The canonical SMILES for 5-[2-(1,3-thiazol-2-yl)propan-2-ylsulfamoyl]thiophene-3-carboxylic acid is CC(C)(NS(=O)(=O)c1cc(C(=O)O)cs1)c1nccs1.
What is the InChIKey of 5-[2-(1,3-thiazol-2-yl)propan-2-ylsulfamoyl]thiophene-3-carboxylic acid?
The InChIKey is NPSCDYHHAYQBMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O4S3/c1-11(2,10-12-3-4-18-10)13-20(16,17)8-5-7(6-19-8)9(14)15/h3-6,13H,1-2H3,(H,14,15).
What are the key properties of 5-[2-(1,3-thiazol-2-yl)propan-2-ylsulfamoyl]thiophene-3-carboxylic acid?
5-[2-(1,3-thiazol-2-yl)propan-2-ylsulfamoyl]thiophene-3-carboxylic acid has a molecular weight of 332.43 g/mol, XLogP of 2.12, 5 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)propan-2-ylsulfamoyl]thiophene-3-carboxylic acid is sourced from PubChem (CID 75456984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).