4-methyl-3-(1,3-thiazol-2-ylsulfamoyl)thiophene-2-carboxylic acid

C9H8N2O4S3 — CID 102747453

IUPAC4-methyl-3-(1,3-thiazol-2-ylsulfamoyl)thiophene-2-carboxylic acid
SMILESCc1csc(C(=O)O)c1S(=O)(=O)Nc1nccs1
InChIInChI=1S/C9H8N2O4S3/c1-5-4-17-6(8(12)13)7(5)18(14,15)11-9-10-2-3-16-9/h2-4H,1H3,(H,10,11)(H,12,13)
InChIKeySDDXMFAGNUKBSF-UHFFFAOYSA-N
MW304.37 g/mol
LogP2.01
Rot. Bonds4

About 4-methyl-3-(1,3-thiazol-2-ylsulfamoyl)thiophene-2-carboxylic acid

4-methyl-3-(1,3-thiazol-2-ylsulfamoyl)thiophene-2-carboxylic acid (PubChem CID 102747453) has the molecular formula C9H8N2O4S3 and a molecular weight of 304.37 g/mol. Its IUPAC name is 4-methyl-3-(1,3-thiazol-2-ylsulfamoyl)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-methyl-3-(1,3-thiazol-2-ylsulfamoyl)thiophene-2-carboxylic acid
PubChem CID102747453
Molecular FormulaC9H8N2O4S3
Molecular Weight304.37 g/mol
Exact Mass303.96
IUPAC Name4-methyl-3-(1,3-thiazol-2-ylsulfamoyl)thiophene-2-carboxylic acid
SMILESCc1csc(C(=O)O)c1S(=O)(=O)Nc1nccs1
InChIInChI=1S/C9H8N2O4S3/c1-5-4-17-6(8(12)13)7(5)18(14,15)11-9-10-2-3-16-9/h2-4H,1H3,(H,10,11)(H,12,13)
InChIKeySDDXMFAGNUKBSF-UHFFFAOYSA-N
XLogP2.01
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(ethylaminomethyl)-4-methyl-N-(1,3-thiazol-2-yl)thiophene-3-sulfonamide
CID 106031666
2,5-dimethyl-4-(1,3-thiazol-2-ylsulfamoyl)furan-3-carboxylic acid
CID 43319867
3,5-dimethyl-4-(1,3-thiazol-2-ylsulfamoyl)-1H-pyrrole-2-carboxylic acid
CID 81428599
4-methyl-3-[(4-methylphenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 102747571
4-methyl-3-[(6-oxo-1H-pyridazin-3-yl)sulfamoyl]thiophene-2-carboxylic acid
CID 102749443
3-[(3-cyanothiophen-2-yl)sulfamoyl]-4-methylthiophene-2-carboxylic acid
CID 102747957
3-[(2,6-dichlorophenyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid
CID 102747945
4-methyl-3-[(6-methyl-2-pyridinyl)sulfamoyl]thiophene-2-carboxylic acid
CID 102747825
4-methyl-3-[(5-methyl-3-pyridinyl)sulfamoyl]thiophene-2-carboxylic acid
CID 107584635
3-[(3,4-dichlorophenyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid
CID 102747775
3-[(2,3-dimethylphenyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid
CID 102747563
4-methyl-3-(1-pyridin-2-ylethylsulfamoyl)thiophene-2-carboxylic acid
CID 102748027

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(1,3-thiazol-2-ylsulfamoyl)thiophene-2-carboxylic acid?
The IUPAC name of 4-methyl-3-(1,3-thiazol-2-ylsulfamoyl)thiophene-2-carboxylic acid (CID 102747453) is 4-methyl-3-(1,3-thiazol-2-ylsulfamoyl)thiophene-2-carboxylic acid.
What is the SMILES notation for 4-methyl-3-(1,3-thiazol-2-ylsulfamoyl)thiophene-2-carboxylic acid?
The canonical SMILES for 4-methyl-3-(1,3-thiazol-2-ylsulfamoyl)thiophene-2-carboxylic acid is Cc1csc(C(=O)O)c1S(=O)(=O)Nc1nccs1.
What is the InChIKey of 4-methyl-3-(1,3-thiazol-2-ylsulfamoyl)thiophene-2-carboxylic acid?
The InChIKey is SDDXMFAGNUKBSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O4S3/c1-5-4-17-6(8(12)13)7(5)18(14,15)11-9-10-2-3-16-9/h2-4H,1H3,(H,10,11)(H,12,13).
What are the key properties of 4-methyl-3-(1,3-thiazol-2-ylsulfamoyl)thiophene-2-carboxylic acid?
4-methyl-3-(1,3-thiazol-2-ylsulfamoyl)thiophene-2-carboxylic acid has a molecular weight of 304.37 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(1,3-thiazol-2-ylsulfamoyl)thiophene-2-carboxylic acid is sourced from PubChem (CID 102747453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).