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

C10H10N2O4S3 — CID 61284843

IUPAC3-methyl-5-(1,3-thiazol-2-ylmethylsulfamoyl)thiophene-2-carboxylic acid
SMILESCc1cc(S(=O)(=O)NCc2nccs2)sc1C(=O)O
InChIInChI=1S/C10H10N2O4S3/c1-6-4-8(18-9(6)10(13)14)19(15,16)12-5-7-11-2-3-17-7/h2-4,12H,5H2,1H3,(H,13,14)
InChIKeyDRCDUAXAXSWGKO-UHFFFAOYSA-N
MW318.40 g/mol
LogP1.69
Rot. Bonds5

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

3-methyl-5-(1,3-thiazol-2-ylmethylsulfamoyl)thiophene-2-carboxylic acid (PubChem CID 61284843) has the molecular formula C10H10N2O4S3 and a molecular weight of 318.40 g/mol. Its IUPAC name is 3-methyl-5-(1,3-thiazol-2-ylmethylsulfamoyl)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-methyl-5-(1,3-thiazol-2-ylmethylsulfamoyl)thiophene-2-carboxylic acid
PubChem CID61284843
Molecular FormulaC10H10N2O4S3
Molecular Weight318.40 g/mol
Exact Mass317.98
IUPAC Name3-methyl-5-(1,3-thiazol-2-ylmethylsulfamoyl)thiophene-2-carboxylic acid
SMILESCc1cc(S(=O)(=O)NCc2nccs2)sc1C(=O)O
InChIInChI=1S/C10H10N2O4S3/c1-6-4-8(18-9(6)10(13)14)19(15,16)12-5-7-11-2-3-17-7/h2-4,12H,5H2,1H3,(H,13,14)
InChIKeyDRCDUAXAXSWGKO-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 3-methyl-5-(1,3-thiazol-2-ylmethylsulfamoyl)thiophene-2-carboxylic acid?
The IUPAC name of 3-methyl-5-(1,3-thiazol-2-ylmethylsulfamoyl)thiophene-2-carboxylic acid (CID 61284843) is 3-methyl-5-(1,3-thiazol-2-ylmethylsulfamoyl)thiophene-2-carboxylic acid.
What is the SMILES notation for 3-methyl-5-(1,3-thiazol-2-ylmethylsulfamoyl)thiophene-2-carboxylic acid?
The canonical SMILES for 3-methyl-5-(1,3-thiazol-2-ylmethylsulfamoyl)thiophene-2-carboxylic acid is Cc1cc(S(=O)(=O)NCc2nccs2)sc1C(=O)O.
What is the InChIKey of 3-methyl-5-(1,3-thiazol-2-ylmethylsulfamoyl)thiophene-2-carboxylic acid?
The InChIKey is DRCDUAXAXSWGKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O4S3/c1-6-4-8(18-9(6)10(13)14)19(15,16)12-5-7-11-2-3-17-7/h2-4,12H,5H2,1H3,(H,13,14).
What are the key properties of 3-methyl-5-(1,3-thiazol-2-ylmethylsulfamoyl)thiophene-2-carboxylic acid?
3-methyl-5-(1,3-thiazol-2-ylmethylsulfamoyl)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 3-methyl-5-(1,3-thiazol-2-ylmethylsulfamoyl)thiophene-2-carboxylic acid is sourced from PubChem (CID 61284843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).