5-(dimethylamino)thiadiazole-4-carboxylic acid

C5H7N3O2S — CID 82411674

IUPAC5-(dimethylamino)thiadiazole-4-carboxylic acid
SMILESCN(C)c1snnc1C(=O)O
InChIInChI=1S/C5H7N3O2S/c1-8(2)4-3(5(9)10)6-7-11-4/h1-2H3,(H,9,10)
InChIKeyGAOYYZODZOWXIA-UHFFFAOYSA-N
MW173.20 g/mol
LogP0.30
Rot. Bonds2

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

5-(dimethylamino)thiadiazole-4-carboxylic acid (PubChem CID 82411674) has the molecular formula C5H7N3O2S and a molecular weight of 173.20 g/mol. Its IUPAC name is 5-(dimethylamino)thiadiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(dimethylamino)thiadiazole-4-carboxylic acid
PubChem CID82411674
Molecular FormulaC5H7N3O2S
Molecular Weight173.20 g/mol
Exact Mass173.03
IUPAC Name5-(dimethylamino)thiadiazole-4-carboxylic acid
SMILESCN(C)c1snnc1C(=O)O
InChIInChI=1S/C5H7N3O2S/c1-8(2)4-3(5(9)10)6-7-11-4/h1-2H3,(H,9,10)
InChIKeyGAOYYZODZOWXIA-UHFFFAOYSA-N
XLogP0.30
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.20
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(dimethylamino)thiadiazole-4-carboxylic acid?
The IUPAC name of 5-(dimethylamino)thiadiazole-4-carboxylic acid (CID 82411674) is 5-(dimethylamino)thiadiazole-4-carboxylic acid.
What is the SMILES notation for 5-(dimethylamino)thiadiazole-4-carboxylic acid?
The canonical SMILES for 5-(dimethylamino)thiadiazole-4-carboxylic acid is CN(C)c1snnc1C(=O)O.
What is the InChIKey of 5-(dimethylamino)thiadiazole-4-carboxylic acid?
The InChIKey is GAOYYZODZOWXIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O2S/c1-8(2)4-3(5(9)10)6-7-11-4/h1-2H3,(H,9,10).
What are the key properties of 5-(dimethylamino)thiadiazole-4-carboxylic acid?
5-(dimethylamino)thiadiazole-4-carboxylic acid has a molecular weight of 173.20 g/mol, XLogP of 0.30, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylamino)thiadiazole-4-carboxylic acid is sourced from PubChem (CID 82411674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).