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

C11H12N2O4S3 — CID 60951601

IUPAC5-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]sulfamoyl]thiophene-3-carboxylic acid
SMILESCc1ncc(CN(C)S(=O)(=O)c2cc(C(=O)O)cs2)s1
InChIInChI=1S/C11H12N2O4S3/c1-7-12-4-9(19-7)5-13(2)20(16,17)10-3-8(6-18-10)11(14)15/h3-4,6H,5H2,1-2H3,(H,14,15)
InChIKeyUPPGYKUFYHUYMF-UHFFFAOYSA-N
MW332.43 g/mol
LogP2.03
Rot. Bonds5

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

5-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]sulfamoyl]thiophene-3-carboxylic acid (PubChem CID 60951601) has the molecular formula C11H12N2O4S3 and a molecular weight of 332.43 g/mol. Its IUPAC name is 5-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]sulfamoyl]thiophene-3-carboxylic acid.

Molecular Properties

Compound Name5-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]sulfamoyl]thiophene-3-carboxylic acid
PubChem CID60951601
Molecular FormulaC11H12N2O4S3
Molecular Weight332.43 g/mol
Exact Mass332.00
IUPAC Name5-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]sulfamoyl]thiophene-3-carboxylic acid
SMILESCc1ncc(CN(C)S(=O)(=O)c2cc(C(=O)O)cs2)s1
InChIInChI=1S/C11H12N2O4S3/c1-7-12-4-9(19-7)5-13(2)20(16,17)10-3-8(6-18-10)11(14)15/h3-4,6H,5H2,1-2H3,(H,14,15)
InChIKeyUPPGYKUFYHUYMF-UHFFFAOYSA-N
XLogP2.03
TPSA87.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 52.03
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]thiophene-3-carboxylic acid?
The IUPAC name of 5-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]sulfamoyl]thiophene-3-carboxylic acid (CID 60951601) is 5-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]sulfamoyl]thiophene-3-carboxylic acid.
What is the SMILES notation for 5-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]sulfamoyl]thiophene-3-carboxylic acid?
The canonical SMILES for 5-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]sulfamoyl]thiophene-3-carboxylic acid is Cc1ncc(CN(C)S(=O)(=O)c2cc(C(=O)O)cs2)s1.
What is the InChIKey of 5-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]sulfamoyl]thiophene-3-carboxylic acid?
The InChIKey is UPPGYKUFYHUYMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O4S3/c1-7-12-4-9(19-7)5-13(2)20(16,17)10-3-8(6-18-10)11(14)15/h3-4,6H,5H2,1-2H3,(H,14,15).
What are the key properties of 5-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]sulfamoyl]thiophene-3-carboxylic acid?
5-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]sulfamoyl]thiophene-3-carboxylic acid has a molecular weight of 332.43 g/mol, XLogP of 2.03, 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]thiophene-3-carboxylic acid is sourced from PubChem (CID 60951601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).