5-(1,3-thiazol-2-ylmethylsulfamoyl)furan-2-carboxylic acid

C9H8N2O5S2 — CID 61285636

IUPAC5-(1,3-thiazol-2-ylmethylsulfamoyl)furan-2-carboxylic acid
SMILESO=C(O)c1ccc(S(=O)(=O)NCc2nccs2)o1
InChIInChI=1S/C9H8N2O5S2/c12-9(13)6-1-2-8(16-6)18(14,15)11-5-7-10-3-4-17-7/h1-4,11H,5H2,(H,12,13)
InChIKeyKJBSUSUBKQQSRN-UHFFFAOYSA-N
MW288.31 g/mol
LogP0.91
Rot. Bonds5

About 5-(1,3-thiazol-2-ylmethylsulfamoyl)furan-2-carboxylic acid

5-(1,3-thiazol-2-ylmethylsulfamoyl)furan-2-carboxylic acid (PubChem CID 61285636) has the molecular formula C9H8N2O5S2 and a molecular weight of 288.31 g/mol. Its IUPAC name is 5-(1,3-thiazol-2-ylmethylsulfamoyl)furan-2-carboxylic acid.

Molecular Properties

Compound Name5-(1,3-thiazol-2-ylmethylsulfamoyl)furan-2-carboxylic acid
PubChem CID61285636
Molecular FormulaC9H8N2O5S2
Molecular Weight288.31 g/mol
Exact Mass287.99
IUPAC Name5-(1,3-thiazol-2-ylmethylsulfamoyl)furan-2-carboxylic acid
SMILESO=C(O)c1ccc(S(=O)(=O)NCc2nccs2)o1
InChIInChI=1S/C9H8N2O5S2/c12-9(13)6-1-2-8(16-6)18(14,15)11-5-7-10-3-4-17-7/h1-4,11H,5H2,(H,12,13)
InChIKeyKJBSUSUBKQQSRN-UHFFFAOYSA-N
XLogP0.91
TPSA109.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(1,3-thiazol-2-ylmethylsulfamoyl)furan-2-carboxylic acid?
The IUPAC name of 5-(1,3-thiazol-2-ylmethylsulfamoyl)furan-2-carboxylic acid (CID 61285636) is 5-(1,3-thiazol-2-ylmethylsulfamoyl)furan-2-carboxylic acid.
What is the SMILES notation for 5-(1,3-thiazol-2-ylmethylsulfamoyl)furan-2-carboxylic acid?
The canonical SMILES for 5-(1,3-thiazol-2-ylmethylsulfamoyl)furan-2-carboxylic acid is O=C(O)c1ccc(S(=O)(=O)NCc2nccs2)o1.
What is the InChIKey of 5-(1,3-thiazol-2-ylmethylsulfamoyl)furan-2-carboxylic acid?
The InChIKey is KJBSUSUBKQQSRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O5S2/c12-9(13)6-1-2-8(16-6)18(14,15)11-5-7-10-3-4-17-7/h1-4,11H,5H2,(H,12,13).
What are the key properties of 5-(1,3-thiazol-2-ylmethylsulfamoyl)furan-2-carboxylic acid?
5-(1,3-thiazol-2-ylmethylsulfamoyl)furan-2-carboxylic acid has a molecular weight of 288.31 g/mol, XLogP of 0.91, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-thiazol-2-ylmethylsulfamoyl)furan-2-carboxylic acid is sourced from PubChem (CID 61285636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).