N-ethoxy-4-ethylthiadiazole-5-carboxamide

C7H11N3O2S — CID 43048038

IUPACN-ethoxy-4-ethylthiadiazole-5-carboxamide
SMILESCCONC(=O)c1snnc1CC
InChIInChI=1S/C7H11N3O2S/c1-3-5-6(13-10-8-5)7(11)9-12-4-2/h3-4H2,1-2H3,(H,9,11)
InChIKeyIKLOTZBOHAMHJO-UHFFFAOYSA-N
MW201.25 g/mol
LogP0.78
Rot. Bonds4

About N-ethoxy-4-ethylthiadiazole-5-carboxamide

N-ethoxy-4-ethylthiadiazole-5-carboxamide (PubChem CID 43048038) has the molecular formula C7H11N3O2S and a molecular weight of 201.25 g/mol. Its IUPAC name is N-ethoxy-4-ethylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-ethoxy-4-ethylthiadiazole-5-carboxamide
PubChem CID43048038
Molecular FormulaC7H11N3O2S
Molecular Weight201.25 g/mol
Exact Mass201.06
IUPAC NameN-ethoxy-4-ethylthiadiazole-5-carboxamide
SMILESCCONC(=O)c1snnc1CC
InChIInChI=1S/C7H11N3O2S/c1-3-5-6(13-10-8-5)7(11)9-12-4-2/h3-4H2,1-2H3,(H,9,11)
InChIKeyIKLOTZBOHAMHJO-UHFFFAOYSA-N
XLogP0.78
TPSA64.11 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 ≤ 50.78
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-ethoxy-4-ethylthiadiazole-5-carboxamide?
The IUPAC name of N-ethoxy-4-ethylthiadiazole-5-carboxamide (CID 43048038) is N-ethoxy-4-ethylthiadiazole-5-carboxamide.
What is the SMILES notation for N-ethoxy-4-ethylthiadiazole-5-carboxamide?
The canonical SMILES for N-ethoxy-4-ethylthiadiazole-5-carboxamide is CCONC(=O)c1snnc1CC.
What is the InChIKey of N-ethoxy-4-ethylthiadiazole-5-carboxamide?
The InChIKey is IKLOTZBOHAMHJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2S/c1-3-5-6(13-10-8-5)7(11)9-12-4-2/h3-4H2,1-2H3,(H,9,11).
What are the key properties of N-ethoxy-4-ethylthiadiazole-5-carboxamide?
N-ethoxy-4-ethylthiadiazole-5-carboxamide has a molecular weight of 201.25 g/mol, XLogP of 0.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethoxy-4-ethylthiadiazole-5-carboxamide is sourced from PubChem (CID 43048038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).