4-ethyl-N-methoxythiadiazole-5-carboxamide

C6H9N3O2S — CID 60701188

IUPAC4-ethyl-N-methoxythiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)NOC
InChIInChI=1S/C6H9N3O2S/c1-3-4-5(12-9-7-4)6(10)8-11-2/h3H2,1-2H3,(H,8,10)
InChIKeyOJHRQVAFGRUCOG-UHFFFAOYSA-N
MW187.22 g/mol
LogP0.39
Rot. Bonds3

About 4-ethyl-N-methoxythiadiazole-5-carboxamide

4-ethyl-N-methoxythiadiazole-5-carboxamide (PubChem CID 60701188) has the molecular formula C6H9N3O2S and a molecular weight of 187.22 g/mol. Its IUPAC name is 4-ethyl-N-methoxythiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-methoxythiadiazole-5-carboxamide
PubChem CID60701188
Molecular FormulaC6H9N3O2S
Molecular Weight187.22 g/mol
Exact Mass187.04
IUPAC Name4-ethyl-N-methoxythiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)NOC
InChIInChI=1S/C6H9N3O2S/c1-3-4-5(12-9-7-4)6(10)8-11-2/h3H2,1-2H3,(H,8,10)
InChIKeyOJHRQVAFGRUCOG-UHFFFAOYSA-N
XLogP0.39
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.22
LogP ≤ 50.39
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 4-ethyl-N-methoxythiadiazole-5-carboxamide?
The IUPAC name of 4-ethyl-N-methoxythiadiazole-5-carboxamide (CID 60701188) is 4-ethyl-N-methoxythiadiazole-5-carboxamide.
What is the SMILES notation for 4-ethyl-N-methoxythiadiazole-5-carboxamide?
The canonical SMILES for 4-ethyl-N-methoxythiadiazole-5-carboxamide is CCc1nnsc1C(=O)NOC.
What is the InChIKey of 4-ethyl-N-methoxythiadiazole-5-carboxamide?
The InChIKey is OJHRQVAFGRUCOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O2S/c1-3-4-5(12-9-7-4)6(10)8-11-2/h3H2,1-2H3,(H,8,10).
What are the key properties of 4-ethyl-N-methoxythiadiazole-5-carboxamide?
4-ethyl-N-methoxythiadiazole-5-carboxamide has a molecular weight of 187.22 g/mol, XLogP of 0.39, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-methoxythiadiazole-5-carboxamide is sourced from PubChem (CID 60701188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).