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

C9H8N2O5S2 — CID 55201517

IUPAC5-methyl-4-(1,2-oxazol-3-ylsulfamoyl)thiophene-2-carboxylic acid
SMILESCc1sc(C(=O)O)cc1S(=O)(=O)Nc1ccon1
InChIInChI=1S/C9H8N2O5S2/c1-5-7(4-6(17-5)9(12)13)18(14,15)11-8-2-3-16-10-8/h2-4H,1H3,(H,10,11)(H,12,13)
InChIKeyLLEJPBRYJFTWGM-UHFFFAOYSA-N
MW288.31 g/mol
LogP1.54
Rot. Bonds4

About 5-methyl-4-(1,2-oxazol-3-ylsulfamoyl)thiophene-2-carboxylic acid

5-methyl-4-(1,2-oxazol-3-ylsulfamoyl)thiophene-2-carboxylic acid (PubChem CID 55201517) has the molecular formula C9H8N2O5S2 and a molecular weight of 288.31 g/mol. Its IUPAC name is 5-methyl-4-(1,2-oxazol-3-ylsulfamoyl)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-methyl-4-(1,2-oxazol-3-ylsulfamoyl)thiophene-2-carboxylic acid
PubChem CID55201517
Molecular FormulaC9H8N2O5S2
Molecular Weight288.31 g/mol
Exact Mass287.99
IUPAC Name5-methyl-4-(1,2-oxazol-3-ylsulfamoyl)thiophene-2-carboxylic acid
SMILESCc1sc(C(=O)O)cc1S(=O)(=O)Nc1ccon1
InChIInChI=1S/C9H8N2O5S2/c1-5-7(4-6(17-5)9(12)13)18(14,15)11-8-2-3-16-10-8/h2-4H,1H3,(H,10,11)(H,12,13)
InChIKeyLLEJPBRYJFTWGM-UHFFFAOYSA-N
XLogP1.54
TPSA109.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(4,6-dimethyl-2-pyridinyl)sulfamoyl]-5-methylthiophene-2-carboxylic acid
CID 114931977
4-[(4-iodophenyl)sulfamoyl]-5-methylthiophene-2-carboxylic acid
CID 63327978
4-(1,2-oxazol-3-ylsulfamoyl)thiophene-2-carboxylic acid
CID 63618335
4-[(5-ethyl-1H-pyrazol-3-yl)sulfamoyl]-5-methylthiophene-2-carboxylic acid
CID 104617455
4-[(2-fluorophenyl)sulfamoyl]-5-methylthiophene-2-carboxylic acid
CID 63327927
5-methyl-4-[(2-propan-2-ylpyrazol-3-yl)sulfamoyl]thiophene-2-carboxylic acid
CID 63327974
4-amino-2-(1,2-oxazol-3-ylsulfamoyl)benzoic acid
CID 102931209
5-methyl-4-(1,2,4-oxadiazol-3-ylmethylsulfamoyl)thiophene-2-carboxylic acid
CID 114183306
2-[5-(1,2-oxazol-3-ylsulfamoyl)thiophen-2-yl]acetic acid
CID 60681193
4-[(2-bromo-4-chlorophenyl)sulfamoyl]-5-methylthiophene-2-carboxylic acid
CID 80980079
5-bromo-4-[(4-methyl-2-pyridinyl)sulfamoyl]thiophene-2-carboxylic acid
CID 43173260
4-[[3-(difluoromethyl)-5-methyl-1H-pyrazol-4-yl]sulfamoyl]-5-methylthiophene-2-carboxylic acid
CID 136530660

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-(1,2-oxazol-3-ylsulfamoyl)thiophene-2-carboxylic acid?
The IUPAC name of 5-methyl-4-(1,2-oxazol-3-ylsulfamoyl)thiophene-2-carboxylic acid (CID 55201517) is 5-methyl-4-(1,2-oxazol-3-ylsulfamoyl)thiophene-2-carboxylic acid.
What is the SMILES notation for 5-methyl-4-(1,2-oxazol-3-ylsulfamoyl)thiophene-2-carboxylic acid?
The canonical SMILES for 5-methyl-4-(1,2-oxazol-3-ylsulfamoyl)thiophene-2-carboxylic acid is Cc1sc(C(=O)O)cc1S(=O)(=O)Nc1ccon1.
What is the InChIKey of 5-methyl-4-(1,2-oxazol-3-ylsulfamoyl)thiophene-2-carboxylic acid?
The InChIKey is LLEJPBRYJFTWGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O5S2/c1-5-7(4-6(17-5)9(12)13)18(14,15)11-8-2-3-16-10-8/h2-4H,1H3,(H,10,11)(H,12,13).
What are the key properties of 5-methyl-4-(1,2-oxazol-3-ylsulfamoyl)thiophene-2-carboxylic acid?
5-methyl-4-(1,2-oxazol-3-ylsulfamoyl)thiophene-2-carboxylic acid has a molecular weight of 288.31 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-(1,2-oxazol-3-ylsulfamoyl)thiophene-2-carboxylic acid is sourced from PubChem (CID 55201517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).