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

C7H5N3O4S3 — CID 28556428

IUPAC5-(1,3,4-thiadiazol-2-ylsulfamoyl)thiophene-3-carboxylic acid
SMILESO=C(O)c1csc(S(=O)(=O)Nc2nncs2)c1
InChIInChI=1S/C7H5N3O4S3/c11-6(12)4-1-5(15-2-4)17(13,14)10-7-9-8-3-16-7/h1-3H,(H,9,10)(H,11,12)
InChIKeyIYPQLHOZHWPOQV-UHFFFAOYSA-N
MW291.34 g/mol
LogP1.10
Rot. Bonds4

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

5-(1,3,4-thiadiazol-2-ylsulfamoyl)thiophene-3-carboxylic acid (PubChem CID 28556428) has the molecular formula C7H5N3O4S3 and a molecular weight of 291.34 g/mol. Its IUPAC name is 5-(1,3,4-thiadiazol-2-ylsulfamoyl)thiophene-3-carboxylic acid.

Molecular Properties

Compound Name5-(1,3,4-thiadiazol-2-ylsulfamoyl)thiophene-3-carboxylic acid
PubChem CID28556428
Molecular FormulaC7H5N3O4S3
Molecular Weight291.34 g/mol
Exact Mass290.94
IUPAC Name5-(1,3,4-thiadiazol-2-ylsulfamoyl)thiophene-3-carboxylic acid
SMILESO=C(O)c1csc(S(=O)(=O)Nc2nncs2)c1
InChIInChI=1S/C7H5N3O4S3/c11-6(12)4-1-5(15-2-4)17(13,14)10-7-9-8-3-16-7/h1-3H,(H,9,10)(H,11,12)
InChIKeyIYPQLHOZHWPOQV-UHFFFAOYSA-N
XLogP1.10
TPSA109.25 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.34
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(1,3,4-thiadiazol-2-ylsulfamoyl)thiophene-3-carboxylic acid?
The IUPAC name of 5-(1,3,4-thiadiazol-2-ylsulfamoyl)thiophene-3-carboxylic acid (CID 28556428) is 5-(1,3,4-thiadiazol-2-ylsulfamoyl)thiophene-3-carboxylic acid.
What is the SMILES notation for 5-(1,3,4-thiadiazol-2-ylsulfamoyl)thiophene-3-carboxylic acid?
The canonical SMILES for 5-(1,3,4-thiadiazol-2-ylsulfamoyl)thiophene-3-carboxylic acid is O=C(O)c1csc(S(=O)(=O)Nc2nncs2)c1.
What is the InChIKey of 5-(1,3,4-thiadiazol-2-ylsulfamoyl)thiophene-3-carboxylic acid?
The InChIKey is IYPQLHOZHWPOQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N3O4S3/c11-6(12)4-1-5(15-2-4)17(13,14)10-7-9-8-3-16-7/h1-3H,(H,9,10)(H,11,12).
What are the key properties of 5-(1,3,4-thiadiazol-2-ylsulfamoyl)thiophene-3-carboxylic acid?
5-(1,3,4-thiadiazol-2-ylsulfamoyl)thiophene-3-carboxylic acid has a molecular weight of 291.34 g/mol, XLogP of 1.10, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3,4-thiadiazol-2-ylsulfamoyl)thiophene-3-carboxylic acid is sourced from PubChem (CID 28556428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).