4-methyl-3-[(4-methyl-1,3-thiazol-2-yl)methylsulfamoyl]thiophene-2-carboxylic acid

C11H12N2O4S3 — CID 102748450

IUPAC4-methyl-3-[(4-methyl-1,3-thiazol-2-yl)methylsulfamoyl]thiophene-2-carboxylic acid
SMILESCc1csc(CNS(=O)(=O)c2c(C)csc2C(=O)O)n1
InChIInChI=1S/C11H12N2O4S3/c1-6-4-19-9(11(14)15)10(6)20(16,17)12-3-8-13-7(2)5-18-8/h4-5,12H,3H2,1-2H3,(H,14,15)
InChIKeyQQLPBHWGRSFZMM-UHFFFAOYSA-N
MW332.43 g/mol
LogP2.00
Rot. Bonds5

About 4-methyl-3-[(4-methyl-1,3-thiazol-2-yl)methylsulfamoyl]thiophene-2-carboxylic acid

4-methyl-3-[(4-methyl-1,3-thiazol-2-yl)methylsulfamoyl]thiophene-2-carboxylic acid (PubChem CID 102748450) has the molecular formula C11H12N2O4S3 and a molecular weight of 332.43 g/mol. Its IUPAC name is 4-methyl-3-[(4-methyl-1,3-thiazol-2-yl)methylsulfamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-methyl-3-[(4-methyl-1,3-thiazol-2-yl)methylsulfamoyl]thiophene-2-carboxylic acid
PubChem CID102748450
Molecular FormulaC11H12N2O4S3
Molecular Weight332.43 g/mol
Exact Mass332.00
IUPAC Name4-methyl-3-[(4-methyl-1,3-thiazol-2-yl)methylsulfamoyl]thiophene-2-carboxylic acid
SMILESCc1csc(CNS(=O)(=O)c2c(C)csc2C(=O)O)n1
InChIInChI=1S/C11H12N2O4S3/c1-6-4-19-9(11(14)15)10(6)20(16,17)12-3-8-13-7(2)5-18-8/h4-5,12H,3H2,1-2H3,(H,14,15)
InChIKeyQQLPBHWGRSFZMM-UHFFFAOYSA-N
XLogP2.00
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methylsulfamoyl]thiophene-2-carboxylic acid
CID 102748617
4-methyl-3-(1H-1,2,4-triazol-5-ylmethylsulfamoyl)thiophene-2-carboxylic acid
CID 102748428
2-[(4-methyl-1,3-thiazol-2-yl)methylsulfamoyl]acetic acid
CID 61043960
4-methyl-3-[(3-methyl-2-propan-2-ylbutyl)sulfamoyl]thiophene-2-carboxylic acid
CID 102903671
4-methyl-3-[(1-methylpyrrol-3-yl)methylsulfamoyl]thiophene-2-carboxylic acid
CID 106390612
2-[4-[(4-methyl-1,3-thiazol-2-yl)methylsulfamoyl]phenyl]acetic acid
CID 61043593
4-fluoro-3-[(4-methyl-1,3-thiazol-2-yl)methylsulfamoyl]benzoic acid
CID 61044081
2-hydroxy-5-[(4-methyl-1,3-thiazol-2-yl)methylsulfamoyl]benzoic acid
CID 61044195
3-(2-carbamoyloxyethylsulfamoyl)-4-methylthiophene-2-carboxylic acid
CID 102749185
2-chloro-4-[(4-methyl-1,3-thiazol-2-yl)methylsulfamoyl]benzoic acid
CID 107089983
3-fluoro-4-[(4-methyl-1,3-thiazol-2-yl)methylsulfamoyl]benzoic acid
CID 79177671
4-methyl-3-[(6-methyl-2-pyridinyl)sulfamoyl]thiophene-2-carboxylic acid
CID 102747825

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[(4-methyl-1,3-thiazol-2-yl)methylsulfamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 4-methyl-3-[(4-methyl-1,3-thiazol-2-yl)methylsulfamoyl]thiophene-2-carboxylic acid (CID 102748450) is 4-methyl-3-[(4-methyl-1,3-thiazol-2-yl)methylsulfamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 4-methyl-3-[(4-methyl-1,3-thiazol-2-yl)methylsulfamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 4-methyl-3-[(4-methyl-1,3-thiazol-2-yl)methylsulfamoyl]thiophene-2-carboxylic acid is Cc1csc(CNS(=O)(=O)c2c(C)csc2C(=O)O)n1.
What is the InChIKey of 4-methyl-3-[(4-methyl-1,3-thiazol-2-yl)methylsulfamoyl]thiophene-2-carboxylic acid?
The InChIKey is QQLPBHWGRSFZMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O4S3/c1-6-4-19-9(11(14)15)10(6)20(16,17)12-3-8-13-7(2)5-18-8/h4-5,12H,3H2,1-2H3,(H,14,15).
What are the key properties of 4-methyl-3-[(4-methyl-1,3-thiazol-2-yl)methylsulfamoyl]thiophene-2-carboxylic acid?
4-methyl-3-[(4-methyl-1,3-thiazol-2-yl)methylsulfamoyl]thiophene-2-carboxylic acid has a molecular weight of 332.43 g/mol, XLogP of 2.00, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[(4-methyl-1,3-thiazol-2-yl)methylsulfamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 102748450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).