5-(dimethylcarbamoyl)thiadiazole-4-carboxylic acid

C6H7N3O3S — CID 117214724

IUPAC5-(dimethylcarbamoyl)thiadiazole-4-carboxylic acid
SMILESCN(C)C(=O)c1snnc1C(=O)O
InChIInChI=1S/C6H7N3O3S/c1-9(2)5(10)4-3(6(11)12)7-8-13-4/h1-2H3,(H,11,12)
InChIKeyHBQOFKDBBJTGTC-UHFFFAOYSA-N
MW201.21 g/mol
LogP-0.06
Rot. Bonds2

About 5-(dimethylcarbamoyl)thiadiazole-4-carboxylic acid

5-(dimethylcarbamoyl)thiadiazole-4-carboxylic acid (PubChem CID 117214724) has the molecular formula C6H7N3O3S and a molecular weight of 201.21 g/mol. Its IUPAC name is 5-(dimethylcarbamoyl)thiadiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(dimethylcarbamoyl)thiadiazole-4-carboxylic acid
PubChem CID117214724
Molecular FormulaC6H7N3O3S
Molecular Weight201.21 g/mol
Exact Mass201.02
IUPAC Name5-(dimethylcarbamoyl)thiadiazole-4-carboxylic acid
SMILESCN(C)C(=O)c1snnc1C(=O)O
InChIInChI=1S/C6H7N3O3S/c1-9(2)5(10)4-3(6(11)12)7-8-13-4/h1-2H3,(H,11,12)
InChIKeyHBQOFKDBBJTGTC-UHFFFAOYSA-N
XLogP-0.06
TPSA83.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.21
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(dimethylcarbamoyl)thiadiazole-4-carboxylic acid?
The IUPAC name of 5-(dimethylcarbamoyl)thiadiazole-4-carboxylic acid (CID 117214724) is 5-(dimethylcarbamoyl)thiadiazole-4-carboxylic acid.
What is the SMILES notation for 5-(dimethylcarbamoyl)thiadiazole-4-carboxylic acid?
The canonical SMILES for 5-(dimethylcarbamoyl)thiadiazole-4-carboxylic acid is CN(C)C(=O)c1snnc1C(=O)O.
What is the InChIKey of 5-(dimethylcarbamoyl)thiadiazole-4-carboxylic acid?
The InChIKey is HBQOFKDBBJTGTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3O3S/c1-9(2)5(10)4-3(6(11)12)7-8-13-4/h1-2H3,(H,11,12).
What are the key properties of 5-(dimethylcarbamoyl)thiadiazole-4-carboxylic acid?
5-(dimethylcarbamoyl)thiadiazole-4-carboxylic acid has a molecular weight of 201.21 g/mol, XLogP of -0.06, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylcarbamoyl)thiadiazole-4-carboxylic acid is sourced from PubChem (CID 117214724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).