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

C9H8N2O5S3 — CID 106379579

IUPAC5-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]thiophene-2-carboxylic acid
SMILESO=C(O)c1ccc(S(=O)(=O)NCc2csc(=O)[nH]2)s1
InChIInChI=1S/C9H8N2O5S3/c12-8(13)6-1-2-7(18-6)19(15,16)10-3-5-4-17-9(14)11-5/h1-2,4,10H,3H2,(H,11,14)(H,12,13)
InChIKeyZUYRKXNHTMBVKH-UHFFFAOYSA-N
MW320.37 g/mol
LogP0.67
Rot. Bonds5

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

5-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]thiophene-2-carboxylic acid (PubChem CID 106379579) has the molecular formula C9H8N2O5S3 and a molecular weight of 320.37 g/mol. Its IUPAC name is 5-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]thiophene-2-carboxylic acid
PubChem CID106379579
Molecular FormulaC9H8N2O5S3
Molecular Weight320.37 g/mol
Exact Mass319.96
IUPAC Name5-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]thiophene-2-carboxylic acid
SMILESO=C(O)c1ccc(S(=O)(=O)NCc2csc(=O)[nH]2)s1
InChIInChI=1S/C9H8N2O5S3/c12-8(13)6-1-2-7(18-6)19(15,16)10-3-5-4-17-9(14)11-5/h1-2,4,10H,3H2,(H,11,14)(H,12,13)
InChIKeyZUYRKXNHTMBVKH-UHFFFAOYSA-N
XLogP0.67
TPSA116.33 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 50.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-(aminomethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]thiophene-2-sulfonamide
CID 106382394
3-methyl-5-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]thiophene-2-carboxylic acid
CID 106379584
5-(pyridin-4-ylmethylsulfamoyl)thiophene-2-carboxylic acid
CID 54907517
5-[(2-hydroxyphenyl)methylsulfamoyl]thiophene-2-carboxylic acid
CID 114331354
5-(1,3-thiazol-2-ylmethylsulfamoyl)thiophene-2-carboxylic acid
CID 61283860
5-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]-1,3-thiazole-4-carboxylic acid
CID 106379571
5-[(2-methyl-1,3-thiazol-4-yl)methylsulfamoyl]thiophene-2-carboxylic acid
CID 61284002
2-fluoro-5-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]benzoic acid
CID 106379581
5-bromo-4-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]furan-2-carboxylic acid
CID 106379599
4-(2-hydroxyethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzenesulfonamide
CID 106383819
5-(2-methylprop-2-enylsulfamoyl)thiophene-2-carboxylic acid
CID 114615365
5-[(3-chlorophenyl)methylsulfamoyl]thiophene-2-carboxylic acid
CID 61026620

Frequently Asked Questions

What is the IUPAC name of 5-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]thiophene-2-carboxylic acid (CID 106379579) is 5-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]thiophene-2-carboxylic acid is O=C(O)c1ccc(S(=O)(=O)NCc2csc(=O)[nH]2)s1.
What is the InChIKey of 5-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]thiophene-2-carboxylic acid?
The InChIKey is ZUYRKXNHTMBVKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O5S3/c12-8(13)6-1-2-7(18-6)19(15,16)10-3-5-4-17-9(14)11-5/h1-2,4,10H,3H2,(H,11,14)(H,12,13).
What are the key properties of 5-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]thiophene-2-carboxylic acid?
5-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]thiophene-2-carboxylic acid has a molecular weight of 320.37 g/mol, XLogP of 0.67, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 106379579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).