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

C8H7N3O4S3 — CID 43314517

IUPAC3-methyl-5-(1,3,4-thiadiazol-2-ylsulfamoyl)thiophene-2-carboxylic acid
SMILESCc1cc(S(=O)(=O)Nc2nncs2)sc1C(=O)O
InChIInChI=1S/C8H7N3O4S3/c1-4-2-5(17-6(4)7(12)13)18(14,15)11-8-10-9-3-16-8/h2-3H,1H3,(H,10,11)(H,12,13)
InChIKeyLSFYUTPUVSBBJX-UHFFFAOYSA-N
MW305.36 g/mol
LogP1.41
Rot. Bonds4

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

3-methyl-5-(1,3,4-thiadiazol-2-ylsulfamoyl)thiophene-2-carboxylic acid (PubChem CID 43314517) has the molecular formula C8H7N3O4S3 and a molecular weight of 305.36 g/mol. Its IUPAC name is 3-methyl-5-(1,3,4-thiadiazol-2-ylsulfamoyl)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-methyl-5-(1,3,4-thiadiazol-2-ylsulfamoyl)thiophene-2-carboxylic acid
PubChem CID43314517
Molecular FormulaC8H7N3O4S3
Molecular Weight305.36 g/mol
Exact Mass304.96
IUPAC Name3-methyl-5-(1,3,4-thiadiazol-2-ylsulfamoyl)thiophene-2-carboxylic acid
SMILESCc1cc(S(=O)(=O)Nc2nncs2)sc1C(=O)O
InChIInChI=1S/C8H7N3O4S3/c1-4-2-5(17-6(4)7(12)13)18(14,15)11-8-10-9-3-16-8/h2-3H,1H3,(H,10,11)(H,12,13)
InChIKeyLSFYUTPUVSBBJX-UHFFFAOYSA-N
XLogP1.41
TPSA109.25 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(1,3,4-thiadiazol-2-ylsulfamoyl)thiophene-2-carboxylic acid?
The IUPAC name of 3-methyl-5-(1,3,4-thiadiazol-2-ylsulfamoyl)thiophene-2-carboxylic acid (CID 43314517) is 3-methyl-5-(1,3,4-thiadiazol-2-ylsulfamoyl)thiophene-2-carboxylic acid.
What is the SMILES notation for 3-methyl-5-(1,3,4-thiadiazol-2-ylsulfamoyl)thiophene-2-carboxylic acid?
The canonical SMILES for 3-methyl-5-(1,3,4-thiadiazol-2-ylsulfamoyl)thiophene-2-carboxylic acid is Cc1cc(S(=O)(=O)Nc2nncs2)sc1C(=O)O.
What is the InChIKey of 3-methyl-5-(1,3,4-thiadiazol-2-ylsulfamoyl)thiophene-2-carboxylic acid?
The InChIKey is LSFYUTPUVSBBJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O4S3/c1-4-2-5(17-6(4)7(12)13)18(14,15)11-8-10-9-3-16-8/h2-3H,1H3,(H,10,11)(H,12,13).
What are the key properties of 3-methyl-5-(1,3,4-thiadiazol-2-ylsulfamoyl)thiophene-2-carboxylic acid?
3-methyl-5-(1,3,4-thiadiazol-2-ylsulfamoyl)thiophene-2-carboxylic acid has a molecular weight of 305.36 g/mol, XLogP of 1.41, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(1,3,4-thiadiazol-2-ylsulfamoyl)thiophene-2-carboxylic acid is sourced from PubChem (CID 43314517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).