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

C10H10N2O4S3 — CID 55248975

IUPAC4-[(4-methyl-1,3-thiazol-5-yl)methylsulfamoyl]thiophene-2-carboxylic acid
SMILESCc1ncsc1CNS(=O)(=O)c1csc(C(=O)O)c1
InChIInChI=1S/C10H10N2O4S3/c1-6-9(18-5-11-6)3-12-19(15,16)7-2-8(10(13)14)17-4-7/h2,4-5,12H,3H2,1H3,(H,13,14)
InChIKeyPIAYWNQXVCILKI-UHFFFAOYSA-N
MW318.40 g/mol
LogP1.69
Rot. Bonds5

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

4-[(4-methyl-1,3-thiazol-5-yl)methylsulfamoyl]thiophene-2-carboxylic acid (PubChem CID 55248975) has the molecular formula C10H10N2O4S3 and a molecular weight of 318.40 g/mol. Its IUPAC name is 4-[(4-methyl-1,3-thiazol-5-yl)methylsulfamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-[(4-methyl-1,3-thiazol-5-yl)methylsulfamoyl]thiophene-2-carboxylic acid
PubChem CID55248975
Molecular FormulaC10H10N2O4S3
Molecular Weight318.40 g/mol
Exact Mass317.98
IUPAC Name4-[(4-methyl-1,3-thiazol-5-yl)methylsulfamoyl]thiophene-2-carboxylic acid
SMILESCc1ncsc1CNS(=O)(=O)c1csc(C(=O)O)c1
InChIInChI=1S/C10H10N2O4S3/c1-6-9(18-5-11-6)3-12-19(15,16)7-2-8(10(13)14)17-4-7/h2,4-5,12H,3H2,1H3,(H,13,14)
InChIKeyPIAYWNQXVCILKI-UHFFFAOYSA-N
XLogP1.69
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(4,5-dimethylthiophen-2-yl)methylsulfamoyl]thiophene-2-carboxylic acid
CID 65246293
4-[(5-methylthiophen-2-yl)methylsulfamoyl]thiophene-2-carboxylic acid
CID 61072744
5-methyl-4-[(4-methyl-1,3-thiazol-5-yl)methylsulfamoyl]furan-2-carboxylic acid
CID 63280665
2-amino-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridine-4-sulfonamide
CID 63283647
5-[(4-methyl-1,3-thiazol-5-yl)methylsulfamoyl]furan-2-carboxylic acid
CID 63280526
4-(methylamino)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
CID 63283497
2-(methylamino)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-5-sulfonamide
CID 63283908
3-amino-4,5-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
CID 63279899
4-(pentylsulfamoyl)thiophene-2-carboxylic acid
CID 61072767
3-[(4-methyl-1,3-thiazol-5-yl)methylsulfamoyl]propanoic acid
CID 63280700
4-(2,2,2-trifluoroethylsulfamoyl)thiophene-2-carboxylic acid
CID 55249941
4-(2-methylsulfinylethylsulfamoyl)thiophene-2-carboxylic acid
CID 104654649

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methyl-1,3-thiazol-5-yl)methylsulfamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 4-[(4-methyl-1,3-thiazol-5-yl)methylsulfamoyl]thiophene-2-carboxylic acid (CID 55248975) is 4-[(4-methyl-1,3-thiazol-5-yl)methylsulfamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 4-[(4-methyl-1,3-thiazol-5-yl)methylsulfamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 4-[(4-methyl-1,3-thiazol-5-yl)methylsulfamoyl]thiophene-2-carboxylic acid is Cc1ncsc1CNS(=O)(=O)c1csc(C(=O)O)c1.
What is the InChIKey of 4-[(4-methyl-1,3-thiazol-5-yl)methylsulfamoyl]thiophene-2-carboxylic acid?
The InChIKey is PIAYWNQXVCILKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O4S3/c1-6-9(18-5-11-6)3-12-19(15,16)7-2-8(10(13)14)17-4-7/h2,4-5,12H,3H2,1H3,(H,13,14).
What are the key properties of 4-[(4-methyl-1,3-thiazol-5-yl)methylsulfamoyl]thiophene-2-carboxylic acid?
4-[(4-methyl-1,3-thiazol-5-yl)methylsulfamoyl]thiophene-2-carboxylic acid has a molecular weight of 318.40 g/mol, XLogP of 1.69, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methyl-1,3-thiazol-5-yl)methylsulfamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 55248975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).