5-(diethylamino)thiadiazole-4-carboxylic acid

C7H11N3O2S — CID 82397305

IUPAC5-(diethylamino)thiadiazole-4-carboxylic acid
SMILESCCN(CC)c1snnc1C(=O)O
InChIInChI=1S/C7H11N3O2S/c1-3-10(4-2)6-5(7(11)12)8-9-13-6/h3-4H2,1-2H3,(H,11,12)
InChIKeyYXVRVTKAVNCUCN-UHFFFAOYSA-N
MW201.25 g/mol
LogP1.08
Rot. Bonds4

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

5-(diethylamino)thiadiazole-4-carboxylic acid (PubChem CID 82397305) has the molecular formula C7H11N3O2S and a molecular weight of 201.25 g/mol. Its IUPAC name is 5-(diethylamino)thiadiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(diethylamino)thiadiazole-4-carboxylic acid
PubChem CID82397305
Molecular FormulaC7H11N3O2S
Molecular Weight201.25 g/mol
Exact Mass201.06
IUPAC Name5-(diethylamino)thiadiazole-4-carboxylic acid
SMILESCCN(CC)c1snnc1C(=O)O
InChIInChI=1S/C7H11N3O2S/c1-3-10(4-2)6-5(7(11)12)8-9-13-6/h3-4H2,1-2H3,(H,11,12)
InChIKeyYXVRVTKAVNCUCN-UHFFFAOYSA-N
XLogP1.08
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.25
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(diethylamino)thiadiazole-4-carboxylic acid?
The IUPAC name of 5-(diethylamino)thiadiazole-4-carboxylic acid (CID 82397305) is 5-(diethylamino)thiadiazole-4-carboxylic acid.
What is the SMILES notation for 5-(diethylamino)thiadiazole-4-carboxylic acid?
The canonical SMILES for 5-(diethylamino)thiadiazole-4-carboxylic acid is CCN(CC)c1snnc1C(=O)O.
What is the InChIKey of 5-(diethylamino)thiadiazole-4-carboxylic acid?
The InChIKey is YXVRVTKAVNCUCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2S/c1-3-10(4-2)6-5(7(11)12)8-9-13-6/h3-4H2,1-2H3,(H,11,12).
What are the key properties of 5-(diethylamino)thiadiazole-4-carboxylic acid?
5-(diethylamino)thiadiazole-4-carboxylic acid has a molecular weight of 201.25 g/mol, XLogP of 1.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(diethylamino)thiadiazole-4-carboxylic acid is sourced from PubChem (CID 82397305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).