3-(2-ethoxyethyl)-5-iodo-1,2,4-thiadiazole

C6H9IN2OS — CID 106815810

IUPAC3-(2-ethoxyethyl)-5-iodo-1,2,4-thiadiazole
SMILESCCOCCc1nsc(I)n1
InChIInChI=1S/C6H9IN2OS/c1-2-10-4-3-5-8-6(7)11-9-5/h2-4H2,1H3
InChIKeyDXRHGWKBHNOQQE-UHFFFAOYSA-N
MW284.12 g/mol
LogP1.72
Rot. Bonds4

About 3-(2-ethoxyethyl)-5-iodo-1,2,4-thiadiazole

3-(2-ethoxyethyl)-5-iodo-1,2,4-thiadiazole (PubChem CID 106815810) has the molecular formula C6H9IN2OS and a molecular weight of 284.12 g/mol. Its IUPAC name is 3-(2-ethoxyethyl)-5-iodo-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-(2-ethoxyethyl)-5-iodo-1,2,4-thiadiazole
PubChem CID106815810
Molecular FormulaC6H9IN2OS
Molecular Weight284.12 g/mol
Exact Mass283.95
IUPAC Name3-(2-ethoxyethyl)-5-iodo-1,2,4-thiadiazole
SMILESCCOCCc1nsc(I)n1
InChIInChI=1S/C6H9IN2OS/c1-2-10-4-3-5-8-6(7)11-9-5/h2-4H2,1H3
InChIKeyDXRHGWKBHNOQQE-UHFFFAOYSA-N
XLogP1.72
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.12
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(2-ethoxyethyl)-5-iodo-1,2,4-thiadiazole with MolForge

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

Launch Full Analysis

Related Compounds

5-Chloro-3-(2-methoxyethyl)-1,2,4-thiadiazole
CID 46318478
3-(2-Methoxyethyl)-1,2,4-thiadiazol-5-amine
CID 61412549
5-Iodo-3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-thiadiazole
CID 103151211
3-[2-(2,2-Difluoroethoxy)ethyl]-5-iodo-1,2,4-thiadiazole
CID 103151212
5-Methoxy-3-propyl-1,2,4-thiadiazole
CID 89142868
5-Ethoxy-3-methyl-1,2,4-thiadiazole
CID 119096458
3-Ethyl-5-methoxy-1,2,4-thiadiazole
CID 139497480
3-Tert-butyl-5-methoxy-1,2,4-thiadiazole
CID 139570285
Ethane;3-ethyl-5-methoxy-1,2,4-thiadiazole
CID 141828615
5-(2-Methoxyethyl)-3-methyl-1,2,4-thiadiazole
CID 142566044
3-(2-Methoxyethyl)-5-methyl-1,2,4-thiadiazole
CID 142566079
3-Methyl-5-(2-methylpropoxy)-1,2,4-thiadiazole
CID 155742688

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxyethyl)-5-iodo-1,2,4-thiadiazole?
The IUPAC name of 3-(2-ethoxyethyl)-5-iodo-1,2,4-thiadiazole (CID 106815810) is 3-(2-ethoxyethyl)-5-iodo-1,2,4-thiadiazole.
What is the SMILES notation for 3-(2-ethoxyethyl)-5-iodo-1,2,4-thiadiazole?
The canonical SMILES for 3-(2-ethoxyethyl)-5-iodo-1,2,4-thiadiazole is CCOCCc1nsc(I)n1.
What is the InChIKey of 3-(2-ethoxyethyl)-5-iodo-1,2,4-thiadiazole?
The InChIKey is DXRHGWKBHNOQQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9IN2OS/c1-2-10-4-3-5-8-6(7)11-9-5/h2-4H2,1H3.
What are the key properties of 3-(2-ethoxyethyl)-5-iodo-1,2,4-thiadiazole?
3-(2-ethoxyethyl)-5-iodo-1,2,4-thiadiazole has a molecular weight of 284.12 g/mol, XLogP of 1.72, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxyethyl)-5-iodo-1,2,4-thiadiazole is sourced from PubChem (CID 106815810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).