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

C9H8N2O4S3 — CID 29039414

IUPAC5-[(5-methyl-1,3-thiazol-2-yl)sulfamoyl]thiophene-3-carboxylic acid
SMILESCc1cnc(NS(=O)(=O)c2cc(C(=O)O)cs2)s1
InChIInChI=1S/C9H8N2O4S3/c1-5-3-10-9(17-5)11-18(14,15)7-2-6(4-16-7)8(12)13/h2-4H,1H3,(H,10,11)(H,12,13)
InChIKeyGDFFUAOLHCTIED-UHFFFAOYSA-N
MW304.37 g/mol
LogP2.01
Rot. Bonds4

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

5-[(5-methyl-1,3-thiazol-2-yl)sulfamoyl]thiophene-3-carboxylic acid (PubChem CID 29039414) has the molecular formula C9H8N2O4S3 and a molecular weight of 304.37 g/mol. Its IUPAC name is 5-[(5-methyl-1,3-thiazol-2-yl)sulfamoyl]thiophene-3-carboxylic acid.

Molecular Properties

Compound Name5-[(5-methyl-1,3-thiazol-2-yl)sulfamoyl]thiophene-3-carboxylic acid
PubChem CID29039414
Molecular FormulaC9H8N2O4S3
Molecular Weight304.37 g/mol
Exact Mass303.96
IUPAC Name5-[(5-methyl-1,3-thiazol-2-yl)sulfamoyl]thiophene-3-carboxylic acid
SMILESCc1cnc(NS(=O)(=O)c2cc(C(=O)O)cs2)s1
InChIInChI=1S/C9H8N2O4S3/c1-5-3-10-9(17-5)11-18(14,15)7-2-6(4-16-7)8(12)13/h2-4H,1H3,(H,10,11)(H,12,13)
InChIKeyGDFFUAOLHCTIED-UHFFFAOYSA-N
XLogP2.01
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(5-methyl-1,3-thiazol-2-yl)sulfamoyl]thiophene-3-carboxylic acid?
The IUPAC name of 5-[(5-methyl-1,3-thiazol-2-yl)sulfamoyl]thiophene-3-carboxylic acid (CID 29039414) is 5-[(5-methyl-1,3-thiazol-2-yl)sulfamoyl]thiophene-3-carboxylic acid.
What is the SMILES notation for 5-[(5-methyl-1,3-thiazol-2-yl)sulfamoyl]thiophene-3-carboxylic acid?
The canonical SMILES for 5-[(5-methyl-1,3-thiazol-2-yl)sulfamoyl]thiophene-3-carboxylic acid is Cc1cnc(NS(=O)(=O)c2cc(C(=O)O)cs2)s1.
What is the InChIKey of 5-[(5-methyl-1,3-thiazol-2-yl)sulfamoyl]thiophene-3-carboxylic acid?
The InChIKey is GDFFUAOLHCTIED-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O4S3/c1-5-3-10-9(17-5)11-18(14,15)7-2-6(4-16-7)8(12)13/h2-4H,1H3,(H,10,11)(H,12,13).
What are the key properties of 5-[(5-methyl-1,3-thiazol-2-yl)sulfamoyl]thiophene-3-carboxylic acid?
5-[(5-methyl-1,3-thiazol-2-yl)sulfamoyl]thiophene-3-carboxylic acid has a molecular weight of 304.37 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-methyl-1,3-thiazol-2-yl)sulfamoyl]thiophene-3-carboxylic acid is sourced from PubChem (CID 29039414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).