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

C9H8N2O4S3 — CID 61283860

IUPAC5-(1,3-thiazol-2-ylmethylsulfamoyl)thiophene-2-carboxylic acid
SMILESO=C(O)c1ccc(S(=O)(=O)NCc2nccs2)s1
InChIInChI=1S/C9H8N2O4S3/c12-9(13)6-1-2-8(17-6)18(14,15)11-5-7-10-3-4-16-7/h1-4,11H,5H2,(H,12,13)
InChIKeyDRQVLDNSJMFLCI-UHFFFAOYSA-N
MW304.37 g/mol
LogP1.38
Rot. Bonds5

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

5-(1,3-thiazol-2-ylmethylsulfamoyl)thiophene-2-carboxylic acid (PubChem CID 61283860) has the molecular formula C9H8N2O4S3 and a molecular weight of 304.37 g/mol. Its IUPAC name is 5-(1,3-thiazol-2-ylmethylsulfamoyl)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-(1,3-thiazol-2-ylmethylsulfamoyl)thiophene-2-carboxylic acid
PubChem CID61283860
Molecular FormulaC9H8N2O4S3
Molecular Weight304.37 g/mol
Exact Mass303.96
IUPAC Name5-(1,3-thiazol-2-ylmethylsulfamoyl)thiophene-2-carboxylic acid
SMILESO=C(O)c1ccc(S(=O)(=O)NCc2nccs2)s1
InChIInChI=1S/C9H8N2O4S3/c12-9(13)6-1-2-8(17-6)18(14,15)11-5-7-10-3-4-16-7/h1-4,11H,5H2,(H,12,13)
InChIKeyDRQVLDNSJMFLCI-UHFFFAOYSA-N
XLogP1.38
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-methyl-N-(1,3-thiazol-2-ylmethyl)thiophene-2-sulfonamide
CID 110738878
5-(pyridin-4-ylmethylsulfamoyl)thiophene-2-carboxylic acid
CID 54907517
5-cyano-N-(1,3-thiazol-2-ylmethyl)thiophene-2-sulfonamide
CID 114166198
5-(1,3-thiazol-2-ylmethylcarbamoyl)thiophene-2-carboxylic acid
CID 55021448
5-[(2-hydroxyphenyl)methylsulfamoyl]thiophene-2-carboxylic acid
CID 114331354
5-[(2-methyl-1,3-thiazol-4-yl)methylsulfamoyl]thiophene-2-carboxylic acid
CID 61284002
5-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]thiophene-2-carboxylic acid
CID 106379579
2,6-difluoro-3-(1,3-thiazol-2-ylmethylsulfamoyl)benzoic acid
CID 61285438
5-(2-methylprop-2-enylsulfamoyl)thiophene-2-carboxylic acid
CID 114615365
methyl 2-(1,3-thiazol-2-ylmethylsulfamoyl)benzoate
CID 103833481
5-[(3-chlorophenyl)methylsulfamoyl]thiophene-2-carboxylic acid
CID 61026620
5-(2,3-dihydroxypropylsulfamoyl)thiophene-2-carboxylic acid
CID 66171444

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-thiazol-2-ylmethylsulfamoyl)thiophene-2-carboxylic acid?
The IUPAC name of 5-(1,3-thiazol-2-ylmethylsulfamoyl)thiophene-2-carboxylic acid (CID 61283860) is 5-(1,3-thiazol-2-ylmethylsulfamoyl)thiophene-2-carboxylic acid.
What is the SMILES notation for 5-(1,3-thiazol-2-ylmethylsulfamoyl)thiophene-2-carboxylic acid?
The canonical SMILES for 5-(1,3-thiazol-2-ylmethylsulfamoyl)thiophene-2-carboxylic acid is O=C(O)c1ccc(S(=O)(=O)NCc2nccs2)s1.
What is the InChIKey of 5-(1,3-thiazol-2-ylmethylsulfamoyl)thiophene-2-carboxylic acid?
The InChIKey is DRQVLDNSJMFLCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O4S3/c12-9(13)6-1-2-8(17-6)18(14,15)11-5-7-10-3-4-16-7/h1-4,11H,5H2,(H,12,13).
What are the key properties of 5-(1,3-thiazol-2-ylmethylsulfamoyl)thiophene-2-carboxylic acid?
5-(1,3-thiazol-2-ylmethylsulfamoyl)thiophene-2-carboxylic acid has a molecular weight of 304.37 g/mol, XLogP of 1.38, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-thiazol-2-ylmethylsulfamoyl)thiophene-2-carboxylic acid is sourced from PubChem (CID 61283860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).