4-ethyl-N-methoxy-N-methylthiadiazole-5-carboxamide

C7H11N3O2S — CID 60666146

IUPAC4-ethyl-N-methoxy-N-methylthiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)N(C)OC
InChIInChI=1S/C7H11N3O2S/c1-4-5-6(13-9-8-5)7(11)10(2)12-3/h4H2,1-3H3
InChIKeyAWBICTAOEKCAGH-UHFFFAOYSA-N
MW201.25 g/mol
LogP0.73
Rot. Bonds3

About 4-ethyl-N-methoxy-N-methylthiadiazole-5-carboxamide

4-ethyl-N-methoxy-N-methylthiadiazole-5-carboxamide (PubChem CID 60666146) has the molecular formula C7H11N3O2S and a molecular weight of 201.25 g/mol. Its IUPAC name is 4-ethyl-N-methoxy-N-methylthiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-methoxy-N-methylthiadiazole-5-carboxamide
PubChem CID60666146
Molecular FormulaC7H11N3O2S
Molecular Weight201.25 g/mol
Exact Mass201.06
IUPAC Name4-ethyl-N-methoxy-N-methylthiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)N(C)OC
InChIInChI=1S/C7H11N3O2S/c1-4-5-6(13-9-8-5)7(11)10(2)12-3/h4H2,1-3H3
InChIKeyAWBICTAOEKCAGH-UHFFFAOYSA-N
XLogP0.73
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.25
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-ethyl-N-methoxy-N-methylthiadiazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-methoxy-N-methylthiadiazole-5-carboxamide?
The IUPAC name of 4-ethyl-N-methoxy-N-methylthiadiazole-5-carboxamide (CID 60666146) is 4-ethyl-N-methoxy-N-methylthiadiazole-5-carboxamide.
What is the SMILES notation for 4-ethyl-N-methoxy-N-methylthiadiazole-5-carboxamide?
The canonical SMILES for 4-ethyl-N-methoxy-N-methylthiadiazole-5-carboxamide is CCc1nnsc1C(=O)N(C)OC.
What is the InChIKey of 4-ethyl-N-methoxy-N-methylthiadiazole-5-carboxamide?
The InChIKey is AWBICTAOEKCAGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2S/c1-4-5-6(13-9-8-5)7(11)10(2)12-3/h4H2,1-3H3.
What are the key properties of 4-ethyl-N-methoxy-N-methylthiadiazole-5-carboxamide?
4-ethyl-N-methoxy-N-methylthiadiazole-5-carboxamide has a molecular weight of 201.25 g/mol, XLogP of 0.73, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-methoxy-N-methylthiadiazole-5-carboxamide is sourced from PubChem (CID 60666146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).