5-(2-ethoxyethyl)-1,2,4-thiadiazol-3-amine

C6H11N3OS — CID 64545067

IUPAC5-(2-ethoxyethyl)-1,2,4-thiadiazol-3-amine
SMILESCCOCCc1nc(N)ns1
InChIInChI=1S/C6H11N3OS/c1-2-10-4-3-5-8-6(7)9-11-5/h2-4H2,1H3,(H2,7,9)
InChIKeyREIBXESLHCYWNP-UHFFFAOYSA-N
MW173.24 g/mol
LogP0.70
Rot. Bonds4

About 5-(2-ethoxyethyl)-1,2,4-thiadiazol-3-amine

5-(2-ethoxyethyl)-1,2,4-thiadiazol-3-amine (PubChem CID 64545067) has the molecular formula C6H11N3OS and a molecular weight of 173.24 g/mol. Its IUPAC name is 5-(2-ethoxyethyl)-1,2,4-thiadiazol-3-amine.

Molecular Properties

Compound Name5-(2-ethoxyethyl)-1,2,4-thiadiazol-3-amine
PubChem CID64545067
Molecular FormulaC6H11N3OS
Molecular Weight173.24 g/mol
Exact Mass173.06
IUPAC Name5-(2-ethoxyethyl)-1,2,4-thiadiazol-3-amine
SMILESCCOCCc1nc(N)ns1
InChIInChI=1S/C6H11N3OS/c1-2-10-4-3-5-8-6(7)9-11-5/h2-4H2,1H3,(H2,7,9)
InChIKeyREIBXESLHCYWNP-UHFFFAOYSA-N
XLogP0.70
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.24
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-(2-ethoxyethyl)-1,2,4-thiadiazol-3-amine 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 5-(2-ethoxyethyl)-1,2,4-thiadiazol-3-amine?
The IUPAC name of 5-(2-ethoxyethyl)-1,2,4-thiadiazol-3-amine (CID 64545067) is 5-(2-ethoxyethyl)-1,2,4-thiadiazol-3-amine.
What is the SMILES notation for 5-(2-ethoxyethyl)-1,2,4-thiadiazol-3-amine?
The canonical SMILES for 5-(2-ethoxyethyl)-1,2,4-thiadiazol-3-amine is CCOCCc1nc(N)ns1.
What is the InChIKey of 5-(2-ethoxyethyl)-1,2,4-thiadiazol-3-amine?
The InChIKey is REIBXESLHCYWNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3OS/c1-2-10-4-3-5-8-6(7)9-11-5/h2-4H2,1H3,(H2,7,9).
What are the key properties of 5-(2-ethoxyethyl)-1,2,4-thiadiazol-3-amine?
5-(2-ethoxyethyl)-1,2,4-thiadiazol-3-amine has a molecular weight of 173.24 g/mol, XLogP of 0.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethoxyethyl)-1,2,4-thiadiazol-3-amine is sourced from PubChem (CID 64545067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).