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

C9H8N2O4S3 — CID 43314385

IUPAC3-methyl-5-(1,3-thiazol-2-ylsulfamoyl)thiophene-2-carboxylic acid
SMILESCc1cc(S(=O)(=O)Nc2nccs2)sc1C(=O)O
InChIInChI=1S/C9H8N2O4S3/c1-5-4-6(17-7(5)8(12)13)18(14,15)11-9-10-2-3-16-9/h2-4H,1H3,(H,10,11)(H,12,13)
InChIKeyBGBHSPXTSYTRKP-UHFFFAOYSA-N
MW304.37 g/mol
LogP2.01
Rot. Bonds4

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

3-methyl-5-(1,3-thiazol-2-ylsulfamoyl)thiophene-2-carboxylic acid (PubChem CID 43314385) has the molecular formula C9H8N2O4S3 and a molecular weight of 304.37 g/mol. Its IUPAC name is 3-methyl-5-(1,3-thiazol-2-ylsulfamoyl)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-methyl-5-(1,3-thiazol-2-ylsulfamoyl)thiophene-2-carboxylic acid
PubChem CID43314385
Molecular FormulaC9H8N2O4S3
Molecular Weight304.37 g/mol
Exact Mass303.96
IUPAC Name3-methyl-5-(1,3-thiazol-2-ylsulfamoyl)thiophene-2-carboxylic acid
SMILESCc1cc(S(=O)(=O)Nc2nccs2)sc1C(=O)O
InChIInChI=1S/C9H8N2O4S3/c1-5-4-6(17-7(5)8(12)13)18(14,15)11-9-10-2-3-16-9/h2-4H,1H3,(H,10,11)(H,12,13)
InChIKeyBGBHSPXTSYTRKP-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-Fluoro-4-[(1,3-thiazol-2-ylamino)sulfonyl]benzoic acid
CID 57732087
3-Fluoro-4-(1,3-thiazol-2-ylsulfamoyl)benzoic acid
CID 79187421
2-Fluoro-5-[(1,3-thiazol-2-yl)sulfamoyl]benzoic acid
CID 28544581
4-Fluoro-3-(1,3-thiazol-2-ylsulfamoyl)benzoic acid
CID 29034073
2,6-Difluoro-3-(1,3-thiazol-2-ylsulfamoyl)benzoic acid
CID 29041516
2-Fluoro-3-methyl-5-(1,3-thiazol-2-ylsulfamoyl)benzoic acid
CID 81434699
3,4-Difluoro-5-(1,3-thiazol-2-ylsulfamoyl)benzoic acid
CID 105111212
3-[(2-Thiazolylamino)sulfonyl]benzoic acid
CID 16768238
4-[(1,3-Thiazol-2-yl)sulfamoyl]benzoic acid
CID 6463927
4-[Methyl(thiazol-2-yl)sulfamoyl]benzoic acid
CID 68153349
2-Methyl-4-(1,3-thiazol-2-ylsulfamoyl)benzoic acid
CID 87501308
Methyl 3-(1,3-thiazol-2-ylsulfamoyl)thiophene-2-carboxylate
CID 25044512

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(1,3-thiazol-2-ylsulfamoyl)thiophene-2-carboxylic acid?
The IUPAC name of 3-methyl-5-(1,3-thiazol-2-ylsulfamoyl)thiophene-2-carboxylic acid (CID 43314385) is 3-methyl-5-(1,3-thiazol-2-ylsulfamoyl)thiophene-2-carboxylic acid.
What is the SMILES notation for 3-methyl-5-(1,3-thiazol-2-ylsulfamoyl)thiophene-2-carboxylic acid?
The canonical SMILES for 3-methyl-5-(1,3-thiazol-2-ylsulfamoyl)thiophene-2-carboxylic acid is Cc1cc(S(=O)(=O)Nc2nccs2)sc1C(=O)O.
What is the InChIKey of 3-methyl-5-(1,3-thiazol-2-ylsulfamoyl)thiophene-2-carboxylic acid?
The InChIKey is BGBHSPXTSYTRKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O4S3/c1-5-4-6(17-7(5)8(12)13)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 3-methyl-5-(1,3-thiazol-2-ylsulfamoyl)thiophene-2-carboxylic acid?
3-methyl-5-(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 3-methyl-5-(1,3-thiazol-2-ylsulfamoyl)thiophene-2-carboxylic acid is sourced from PubChem (CID 43314385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).