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

C9H8N2O5S2 — CID 29077395

IUPAC5-[(5-methyl-1,3-thiazol-2-yl)sulfamoyl]furan-2-carboxylic acid
SMILESCc1cnc(NS(=O)(=O)c2ccc(C(=O)O)o2)s1
InChIInChI=1S/C9H8N2O5S2/c1-5-4-10-9(17-5)11-18(14,15)7-3-2-6(16-7)8(12)13/h2-4H,1H3,(H,10,11)(H,12,13)
InChIKeyIOVWTYLXODIJDE-UHFFFAOYSA-N
MW288.31 g/mol
LogP1.54
Rot. Bonds4

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

5-[(5-methyl-1,3-thiazol-2-yl)sulfamoyl]furan-2-carboxylic acid (PubChem CID 29077395) has the molecular formula C9H8N2O5S2 and a molecular weight of 288.31 g/mol. Its IUPAC name is 5-[(5-methyl-1,3-thiazol-2-yl)sulfamoyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[(5-methyl-1,3-thiazol-2-yl)sulfamoyl]furan-2-carboxylic acid
PubChem CID29077395
Molecular FormulaC9H8N2O5S2
Molecular Weight288.31 g/mol
Exact Mass287.99
IUPAC Name5-[(5-methyl-1,3-thiazol-2-yl)sulfamoyl]furan-2-carboxylic acid
SMILESCc1cnc(NS(=O)(=O)c2ccc(C(=O)O)o2)s1
InChIInChI=1S/C9H8N2O5S2/c1-5-4-10-9(17-5)11-18(14,15)7-3-2-6(16-7)8(12)13/h2-4H,1H3,(H,10,11)(H,12,13)
InChIKeyIOVWTYLXODIJDE-UHFFFAOYSA-N
XLogP1.54
TPSA109.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 51.54
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]furan-2-carboxylic acid?
The IUPAC name of 5-[(5-methyl-1,3-thiazol-2-yl)sulfamoyl]furan-2-carboxylic acid (CID 29077395) is 5-[(5-methyl-1,3-thiazol-2-yl)sulfamoyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[(5-methyl-1,3-thiazol-2-yl)sulfamoyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[(5-methyl-1,3-thiazol-2-yl)sulfamoyl]furan-2-carboxylic acid is Cc1cnc(NS(=O)(=O)c2ccc(C(=O)O)o2)s1.
What is the InChIKey of 5-[(5-methyl-1,3-thiazol-2-yl)sulfamoyl]furan-2-carboxylic acid?
The InChIKey is IOVWTYLXODIJDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O5S2/c1-5-4-10-9(17-5)11-18(14,15)7-3-2-6(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]furan-2-carboxylic acid?
5-[(5-methyl-1,3-thiazol-2-yl)sulfamoyl]furan-2-carboxylic acid has a molecular weight of 288.31 g/mol, XLogP of 1.54, 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]furan-2-carboxylic acid is sourced from PubChem (CID 29077395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).