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

C11H12N2O5S2 — CID 60951037

IUPAC5-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]sulfamoyl]furan-2-carboxylic acid
SMILESCc1ncc(CN(C)S(=O)(=O)c2ccc(C(=O)O)o2)s1
InChIInChI=1S/C11H12N2O5S2/c1-7-12-5-8(19-7)6-13(2)20(16,17)10-4-3-9(18-10)11(14)15/h3-5H,6H2,1-2H3,(H,14,15)
InChIKeyJGAWSHGRXLSQCD-UHFFFAOYSA-N
MW316.36 g/mol
LogP1.56
Rot. Bonds5

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

5-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]sulfamoyl]furan-2-carboxylic acid (PubChem CID 60951037) has the molecular formula C11H12N2O5S2 and a molecular weight of 316.36 g/mol. Its IUPAC name is 5-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]sulfamoyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]sulfamoyl]furan-2-carboxylic acid
PubChem CID60951037
Molecular FormulaC11H12N2O5S2
Molecular Weight316.36 g/mol
Exact Mass316.02
IUPAC Name5-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]sulfamoyl]furan-2-carboxylic acid
SMILESCc1ncc(CN(C)S(=O)(=O)c2ccc(C(=O)O)o2)s1
InChIInChI=1S/C11H12N2O5S2/c1-7-12-5-8(19-7)6-13(2)20(16,17)10-4-3-9(18-10)11(14)15/h3-5H,6H2,1-2H3,(H,14,15)
InChIKeyJGAWSHGRXLSQCD-UHFFFAOYSA-N
XLogP1.56
TPSA100.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]sulfamoyl]furan-2-carboxylic acid?
The IUPAC name of 5-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]sulfamoyl]furan-2-carboxylic acid (CID 60951037) is 5-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]sulfamoyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]sulfamoyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]sulfamoyl]furan-2-carboxylic acid is Cc1ncc(CN(C)S(=O)(=O)c2ccc(C(=O)O)o2)s1.
What is the InChIKey of 5-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]sulfamoyl]furan-2-carboxylic acid?
The InChIKey is JGAWSHGRXLSQCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O5S2/c1-7-12-5-8(19-7)6-13(2)20(16,17)10-4-3-9(18-10)11(14)15/h3-5H,6H2,1-2H3,(H,14,15).
What are the key properties of 5-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]sulfamoyl]furan-2-carboxylic acid?
5-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]sulfamoyl]furan-2-carboxylic acid has a molecular weight of 316.36 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]sulfamoyl]furan-2-carboxylic acid is sourced from PubChem (CID 60951037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).