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

C10H10N2O4S3 — CID 61068901

IUPAC5-[(2-methyl-1,3-thiazol-4-yl)methylsulfamoyl]thiophene-3-carboxylic acid
SMILESCc1nc(CNS(=O)(=O)c2cc(C(=O)O)cs2)cs1
InChIInChI=1S/C10H10N2O4S3/c1-6-12-8(5-17-6)3-11-19(15,16)9-2-7(4-18-9)10(13)14/h2,4-5,11H,3H2,1H3,(H,13,14)
InChIKeyJVGKOEMDLZIXEW-UHFFFAOYSA-N
MW318.40 g/mol
LogP1.69
Rot. Bonds5

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

5-[(2-methyl-1,3-thiazol-4-yl)methylsulfamoyl]thiophene-3-carboxylic acid (PubChem CID 61068901) has the molecular formula C10H10N2O4S3 and a molecular weight of 318.40 g/mol. Its IUPAC name is 5-[(2-methyl-1,3-thiazol-4-yl)methylsulfamoyl]thiophene-3-carboxylic acid.

Molecular Properties

Compound Name5-[(2-methyl-1,3-thiazol-4-yl)methylsulfamoyl]thiophene-3-carboxylic acid
PubChem CID61068901
Molecular FormulaC10H10N2O4S3
Molecular Weight318.40 g/mol
Exact Mass317.98
IUPAC Name5-[(2-methyl-1,3-thiazol-4-yl)methylsulfamoyl]thiophene-3-carboxylic acid
SMILESCc1nc(CNS(=O)(=O)c2cc(C(=O)O)cs2)cs1
InChIInChI=1S/C10H10N2O4S3/c1-6-12-8(5-17-6)3-11-19(15,16)9-2-7(4-18-9)10(13)14/h2,4-5,11H,3H2,1H3,(H,13,14)
InChIKeyJVGKOEMDLZIXEW-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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Frequently Asked Questions

What is the IUPAC name of 5-[(2-methyl-1,3-thiazol-4-yl)methylsulfamoyl]thiophene-3-carboxylic acid?
The IUPAC name of 5-[(2-methyl-1,3-thiazol-4-yl)methylsulfamoyl]thiophene-3-carboxylic acid (CID 61068901) is 5-[(2-methyl-1,3-thiazol-4-yl)methylsulfamoyl]thiophene-3-carboxylic acid.
What is the SMILES notation for 5-[(2-methyl-1,3-thiazol-4-yl)methylsulfamoyl]thiophene-3-carboxylic acid?
The canonical SMILES for 5-[(2-methyl-1,3-thiazol-4-yl)methylsulfamoyl]thiophene-3-carboxylic acid is Cc1nc(CNS(=O)(=O)c2cc(C(=O)O)cs2)cs1.
What is the InChIKey of 5-[(2-methyl-1,3-thiazol-4-yl)methylsulfamoyl]thiophene-3-carboxylic acid?
The InChIKey is JVGKOEMDLZIXEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O4S3/c1-6-12-8(5-17-6)3-11-19(15,16)9-2-7(4-18-9)10(13)14/h2,4-5,11H,3H2,1H3,(H,13,14).
What are the key properties of 5-[(2-methyl-1,3-thiazol-4-yl)methylsulfamoyl]thiophene-3-carboxylic acid?
5-[(2-methyl-1,3-thiazol-4-yl)methylsulfamoyl]thiophene-3-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 5-[(2-methyl-1,3-thiazol-4-yl)methylsulfamoyl]thiophene-3-carboxylic acid is sourced from PubChem (CID 61068901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).