5-(ethylcarbamoyl)thiadiazole-4-carboxylic acid

C6H7N3O3S — CID 117214793

IUPAC5-(ethylcarbamoyl)thiadiazole-4-carboxylic acid
SMILESCCNC(=O)c1snnc1C(=O)O
InChIInChI=1S/C6H7N3O3S/c1-2-7-5(10)4-3(6(11)12)8-9-13-4/h2H2,1H3,(H,7,10)(H,11,12)
InChIKeyFNZDTMKOWZHCAH-UHFFFAOYSA-N
MW201.21 g/mol
LogP-0.01
Rot. Bonds3

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

5-(ethylcarbamoyl)thiadiazole-4-carboxylic acid (PubChem CID 117214793) has the molecular formula C6H7N3O3S and a molecular weight of 201.21 g/mol. Its IUPAC name is 5-(ethylcarbamoyl)thiadiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(ethylcarbamoyl)thiadiazole-4-carboxylic acid
PubChem CID117214793
Molecular FormulaC6H7N3O3S
Molecular Weight201.21 g/mol
Exact Mass201.02
IUPAC Name5-(ethylcarbamoyl)thiadiazole-4-carboxylic acid
SMILESCCNC(=O)c1snnc1C(=O)O
InChIInChI=1S/C6H7N3O3S/c1-2-7-5(10)4-3(6(11)12)8-9-13-4/h2H2,1H3,(H,7,10)(H,11,12)
InChIKeyFNZDTMKOWZHCAH-UHFFFAOYSA-N
XLogP-0.01
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.21
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(ethylcarbamoyl)thiadiazole-4-carboxylic acid?
The IUPAC name of 5-(ethylcarbamoyl)thiadiazole-4-carboxylic acid (CID 117214793) is 5-(ethylcarbamoyl)thiadiazole-4-carboxylic acid.
What is the SMILES notation for 5-(ethylcarbamoyl)thiadiazole-4-carboxylic acid?
The canonical SMILES for 5-(ethylcarbamoyl)thiadiazole-4-carboxylic acid is CCNC(=O)c1snnc1C(=O)O.
What is the InChIKey of 5-(ethylcarbamoyl)thiadiazole-4-carboxylic acid?
The InChIKey is FNZDTMKOWZHCAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3O3S/c1-2-7-5(10)4-3(6(11)12)8-9-13-4/h2H2,1H3,(H,7,10)(H,11,12).
What are the key properties of 5-(ethylcarbamoyl)thiadiazole-4-carboxylic acid?
5-(ethylcarbamoyl)thiadiazole-4-carboxylic acid has a molecular weight of 201.21 g/mol, XLogP of -0.01, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylcarbamoyl)thiadiazole-4-carboxylic acid is sourced from PubChem (CID 117214793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).