5-[methyl(1,3-thiazol-4-ylmethyl)sulfamoyl]thiophene-3-carboxylic acid

C10H10N2O4S3 — CID 55013729

IUPAC5-[methyl(1,3-thiazol-4-ylmethyl)sulfamoyl]thiophene-3-carboxylic acid
SMILESCN(Cc1cscn1)S(=O)(=O)c1cc(C(=O)O)cs1
InChIInChI=1S/C10H10N2O4S3/c1-12(3-8-5-17-6-11-8)19(15,16)9-2-7(4-18-9)10(13)14/h2,4-6H,3H2,1H3,(H,13,14)
InChIKeyDAMXTRKKABXURA-UHFFFAOYSA-N
MW318.40 g/mol
LogP1.72
Rot. Bonds5

About 5-[methyl(1,3-thiazol-4-ylmethyl)sulfamoyl]thiophene-3-carboxylic acid

5-[methyl(1,3-thiazol-4-ylmethyl)sulfamoyl]thiophene-3-carboxylic acid (PubChem CID 55013729) has the molecular formula C10H10N2O4S3 and a molecular weight of 318.40 g/mol. Its IUPAC name is 5-[methyl(1,3-thiazol-4-ylmethyl)sulfamoyl]thiophene-3-carboxylic acid.

Molecular Properties

Compound Name5-[methyl(1,3-thiazol-4-ylmethyl)sulfamoyl]thiophene-3-carboxylic acid
PubChem CID55013729
Molecular FormulaC10H10N2O4S3
Molecular Weight318.40 g/mol
Exact Mass317.98
IUPAC Name5-[methyl(1,3-thiazol-4-ylmethyl)sulfamoyl]thiophene-3-carboxylic acid
SMILESCN(Cc1cscn1)S(=O)(=O)c1cc(C(=O)O)cs1
InChIInChI=1S/C10H10N2O4S3/c1-12(3-8-5-17-6-11-8)19(15,16)9-2-7(4-18-9)10(13)14/h2,4-6H,3H2,1H3,(H,13,14)
InChIKeyDAMXTRKKABXURA-UHFFFAOYSA-N
XLogP1.72
TPSA87.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[methyl(1,3-thiazol-4-ylmethyl)sulfamoyl]thiophene-3-carboxylic acid?
The IUPAC name of 5-[methyl(1,3-thiazol-4-ylmethyl)sulfamoyl]thiophene-3-carboxylic acid (CID 55013729) is 5-[methyl(1,3-thiazol-4-ylmethyl)sulfamoyl]thiophene-3-carboxylic acid.
What is the SMILES notation for 5-[methyl(1,3-thiazol-4-ylmethyl)sulfamoyl]thiophene-3-carboxylic acid?
The canonical SMILES for 5-[methyl(1,3-thiazol-4-ylmethyl)sulfamoyl]thiophene-3-carboxylic acid is CN(Cc1cscn1)S(=O)(=O)c1cc(C(=O)O)cs1.
What is the InChIKey of 5-[methyl(1,3-thiazol-4-ylmethyl)sulfamoyl]thiophene-3-carboxylic acid?
The InChIKey is DAMXTRKKABXURA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O4S3/c1-12(3-8-5-17-6-11-8)19(15,16)9-2-7(4-18-9)10(13)14/h2,4-6H,3H2,1H3,(H,13,14).
What are the key properties of 5-[methyl(1,3-thiazol-4-ylmethyl)sulfamoyl]thiophene-3-carboxylic acid?
5-[methyl(1,3-thiazol-4-ylmethyl)sulfamoyl]thiophene-3-carboxylic acid has a molecular weight of 318.40 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[methyl(1,3-thiazol-4-ylmethyl)sulfamoyl]thiophene-3-carboxylic acid is sourced from PubChem (CID 55013729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).