N-ethoxythiadiazole-5-carboxamide

C5H7N3O2S — CID 60858232

IUPACN-ethoxythiadiazole-5-carboxamide
SMILESCCONC(=O)c1cnns1
InChIInChI=1S/C5H7N3O2S/c1-2-10-7-5(9)4-3-6-8-11-4/h3H,2H2,1H3,(H,7,9)
InChIKeyWMIFJPPVJGKGRZ-UHFFFAOYSA-N
MW173.20 g/mol
LogP0.22
Rot. Bonds3

About N-ethoxythiadiazole-5-carboxamide

N-ethoxythiadiazole-5-carboxamide (PubChem CID 60858232) has the molecular formula C5H7N3O2S and a molecular weight of 173.20 g/mol. Its IUPAC name is N-ethoxythiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-ethoxythiadiazole-5-carboxamide
PubChem CID60858232
Molecular FormulaC5H7N3O2S
Molecular Weight173.20 g/mol
Exact Mass173.03
IUPAC NameN-ethoxythiadiazole-5-carboxamide
SMILESCCONC(=O)c1cnns1
InChIInChI=1S/C5H7N3O2S/c1-2-10-7-5(9)4-3-6-8-11-4/h3H,2H2,1H3,(H,7,9)
InChIKeyWMIFJPPVJGKGRZ-UHFFFAOYSA-N
XLogP0.22
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.20
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethoxythiadiazole-5-carboxamide?
The IUPAC name of N-ethoxythiadiazole-5-carboxamide (CID 60858232) is N-ethoxythiadiazole-5-carboxamide.
What is the SMILES notation for N-ethoxythiadiazole-5-carboxamide?
The canonical SMILES for N-ethoxythiadiazole-5-carboxamide is CCONC(=O)c1cnns1.
What is the InChIKey of N-ethoxythiadiazole-5-carboxamide?
The InChIKey is WMIFJPPVJGKGRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O2S/c1-2-10-7-5(9)4-3-6-8-11-4/h3H,2H2,1H3,(H,7,9).
What are the key properties of N-ethoxythiadiazole-5-carboxamide?
N-ethoxythiadiazole-5-carboxamide has a molecular weight of 173.20 g/mol, XLogP of 0.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethoxythiadiazole-5-carboxamide is sourced from PubChem (CID 60858232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).