3-methyl-5-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]thiophene-2-carboxylic acid

C10H10N2O5S3 — CID 106379584

IUPAC3-methyl-5-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]thiophene-2-carboxylic acid
SMILESCc1cc(S(=O)(=O)NCc2csc(=O)[nH]2)sc1C(=O)O
InChIInChI=1S/C10H10N2O5S3/c1-5-2-7(19-8(5)9(13)14)20(16,17)11-3-6-4-18-10(15)12-6/h2,4,11H,3H2,1H3,(H,12,15)(H,13,14)
InChIKeyZQSAHXDJHUMEPJ-UHFFFAOYSA-N
MW334.40 g/mol
LogP0.98
Rot. Bonds5

About 3-methyl-5-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]thiophene-2-carboxylic acid

3-methyl-5-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]thiophene-2-carboxylic acid (PubChem CID 106379584) has the molecular formula C10H10N2O5S3 and a molecular weight of 334.40 g/mol. Its IUPAC name is 3-methyl-5-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-methyl-5-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]thiophene-2-carboxylic acid
PubChem CID106379584
Molecular FormulaC10H10N2O5S3
Molecular Weight334.40 g/mol
Exact Mass333.98
IUPAC Name3-methyl-5-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]thiophene-2-carboxylic acid
SMILESCc1cc(S(=O)(=O)NCc2csc(=O)[nH]2)sc1C(=O)O
InChIInChI=1S/C10H10N2O5S3/c1-5-2-7(19-8(5)9(13)14)20(16,17)11-3-6-4-18-10(15)12-6/h2,4,11H,3H2,1H3,(H,12,15)(H,13,14)
InChIKeyZQSAHXDJHUMEPJ-UHFFFAOYSA-N
XLogP0.98
TPSA116.33 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 3-methyl-5-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]thiophene-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]thiophene-2-carboxylic acid
CID 106379579
5-[(5-ethylthiophen-2-yl)methylsulfamoyl]-3-methylthiophene-2-carboxylic acid
CID 104654476
5-(benzylsulfamoyl)-3-methylthiophene-2-carboxylic acid
CID 43314482
3-methyl-5-(prop-2-ynylsulfamoyl)thiophene-2-carboxylic acid
CID 43314508
5-[(4-hydroxyphenyl)methylsulfamoyl]-3-methylthiophene-2-carboxylic acid
CID 114331333
5-[2-(dimethylamino)ethylsulfamoyl]-3-methylthiophene-2-carboxylic acid
CID 43314407
3-methyl-5-[(3-methyl-2-propan-2-ylbutyl)sulfamoyl]thiophene-2-carboxylic acid
CID 102903686
3-methyl-5-[(3-methyl-4-pyridinyl)methylsulfamoyl]thiophene-2-carboxylic acid
CID 114698528
5-(aminomethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]thiophene-2-sulfonamide
CID 106382394
5-(2-cyanoethylsulfamoyl)-3-methylthiophene-2-carboxylic acid
CID 55102481
5-(2,3-dihydroxypropylsulfamoyl)-3-methylthiophene-2-carboxylic acid
CID 66170587
5-[(4-amino-4-oxobutyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid
CID 60863201

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 3-methyl-5-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]thiophene-2-carboxylic acid (CID 106379584) is 3-methyl-5-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 3-methyl-5-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 3-methyl-5-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]thiophene-2-carboxylic acid is Cc1cc(S(=O)(=O)NCc2csc(=O)[nH]2)sc1C(=O)O.
What is the InChIKey of 3-methyl-5-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]thiophene-2-carboxylic acid?
The InChIKey is ZQSAHXDJHUMEPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O5S3/c1-5-2-7(19-8(5)9(13)14)20(16,17)11-3-6-4-18-10(15)12-6/h2,4,11H,3H2,1H3,(H,12,15)(H,13,14).
What are the key properties of 3-methyl-5-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]thiophene-2-carboxylic acid?
3-methyl-5-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]thiophene-2-carboxylic acid has a molecular weight of 334.40 g/mol, XLogP of 0.98, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 106379584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).