5-bromo-4-(1,3-thiazol-2-ylsulfamoyl)thiophene-2-carboxylic acid

C8H5BrN2O4S3 — CID 43362379

IUPAC5-bromo-4-(1,3-thiazol-2-ylsulfamoyl)thiophene-2-carboxylic acid
SMILESO=C(O)c1cc(S(=O)(=O)Nc2nccs2)c(Br)s1
InChIInChI=1S/C8H5BrN2O4S3/c9-6-5(3-4(17-6)7(12)13)18(14,15)11-8-10-1-2-16-8/h1-3H,(H,10,11)(H,12,13)
InChIKeyTYMKATNJUAFYGO-UHFFFAOYSA-N
MW369.24 g/mol
LogP2.47
Rot. Bonds4

About 5-bromo-4-(1,3-thiazol-2-ylsulfamoyl)thiophene-2-carboxylic acid

5-bromo-4-(1,3-thiazol-2-ylsulfamoyl)thiophene-2-carboxylic acid (PubChem CID 43362379) has the molecular formula C8H5BrN2O4S3 and a molecular weight of 369.24 g/mol. Its IUPAC name is 5-bromo-4-(1,3-thiazol-2-ylsulfamoyl)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-bromo-4-(1,3-thiazol-2-ylsulfamoyl)thiophene-2-carboxylic acid
PubChem CID43362379
Molecular FormulaC8H5BrN2O4S3
Molecular Weight369.24 g/mol
Exact Mass367.86
IUPAC Name5-bromo-4-(1,3-thiazol-2-ylsulfamoyl)thiophene-2-carboxylic acid
SMILESO=C(O)c1cc(S(=O)(=O)Nc2nccs2)c(Br)s1
InChIInChI=1S/C8H5BrN2O4S3/c9-6-5(3-4(17-6)7(12)13)18(14,15)11-8-10-1-2-16-8/h1-3H,(H,10,11)(H,12,13)
InChIKeyTYMKATNJUAFYGO-UHFFFAOYSA-N
XLogP2.47
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.24
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(1,3-thiazol-2-ylsulfamoyl)thiophene-2-carboxylic acid?
The IUPAC name of 5-bromo-4-(1,3-thiazol-2-ylsulfamoyl)thiophene-2-carboxylic acid (CID 43362379) is 5-bromo-4-(1,3-thiazol-2-ylsulfamoyl)thiophene-2-carboxylic acid.
What is the SMILES notation for 5-bromo-4-(1,3-thiazol-2-ylsulfamoyl)thiophene-2-carboxylic acid?
The canonical SMILES for 5-bromo-4-(1,3-thiazol-2-ylsulfamoyl)thiophene-2-carboxylic acid is O=C(O)c1cc(S(=O)(=O)Nc2nccs2)c(Br)s1.
What is the InChIKey of 5-bromo-4-(1,3-thiazol-2-ylsulfamoyl)thiophene-2-carboxylic acid?
The InChIKey is TYMKATNJUAFYGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrN2O4S3/c9-6-5(3-4(17-6)7(12)13)18(14,15)11-8-10-1-2-16-8/h1-3H,(H,10,11)(H,12,13).
What are the key properties of 5-bromo-4-(1,3-thiazol-2-ylsulfamoyl)thiophene-2-carboxylic acid?
5-bromo-4-(1,3-thiazol-2-ylsulfamoyl)thiophene-2-carboxylic acid has a molecular weight of 369.24 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(1,3-thiazol-2-ylsulfamoyl)thiophene-2-carboxylic acid is sourced from PubChem (CID 43362379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).