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

C6H9IN2OS — CID 102618444

IUPAC3-(1-ethoxyethyl)-5-iodo-1,2,4-thiadiazole
SMILESCCOC(C)c1nsc(I)n1
InChIInChI=1S/C6H9IN2OS/c1-3-10-4(2)5-8-6(7)11-9-5/h4H,3H2,1-2H3
InChIKeyVTZBHRMCVZAGSY-UHFFFAOYSA-N
MW284.12 g/mol
LogP2.24
Rot. Bonds3

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

3-(1-ethoxyethyl)-5-iodo-1,2,4-thiadiazole (PubChem CID 102618444) has the molecular formula C6H9IN2OS and a molecular weight of 284.12 g/mol. Its IUPAC name is 3-(1-ethoxyethyl)-5-iodo-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-(1-ethoxyethyl)-5-iodo-1,2,4-thiadiazole
PubChem CID102618444
Molecular FormulaC6H9IN2OS
Molecular Weight284.12 g/mol
Exact Mass283.95
IUPAC Name3-(1-ethoxyethyl)-5-iodo-1,2,4-thiadiazole
SMILESCCOC(C)c1nsc(I)n1
InChIInChI=1S/C6H9IN2OS/c1-3-10-4(2)5-8-6(7)11-9-5/h4H,3H2,1-2H3
InChIKeyVTZBHRMCVZAGSY-UHFFFAOYSA-N
XLogP2.24
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.12
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-Chloro-3-(2-methoxypropan-2-yl)-1,2,4-thiadiazole
CID 79194891
3-(1-Methoxyethyl)-1,2,4-thiadiazol-5-amine
CID 79616034
3-(2-Ethoxypropan-2-yl)-5-methyl-1,2,4-thiadiazole
CID 135170706
5-Chloro-3-(methoxymethyl)-1,2,4-thiadiazole;propane
CID 143141471
1-(5-Amino-1,2,4-thiadiazol-3-yl)ethyl cyanomethanimidate
CID 174722147
3-(1-Ethoxypropyl)-5-methyl-1,2,4-thiadiazole
CID 177332478
3-(Ethoxymethyl)-5-methoxy-1,2,4-thiadiazole
CID 178822695
5-Methoxy-3-(methoxymethyl)-1,2,4-thiadiazole
CID 178823218
3-(Propoxymethyl)-1,2,4-thiadiazol-5-amine
CID 61812818
3-(1-Ethoxyethyl)-1,2,4-thiadiazol-5-amine
CID 64539845
5-Chloro-3-(1-ethoxyethyl)-1,2,4-thiadiazole
CID 65267198
5-Chloro-3-(propoxymethyl)-1,2,4-thiadiazole
CID 65267362

Frequently Asked Questions

What is the IUPAC name of 3-(1-ethoxyethyl)-5-iodo-1,2,4-thiadiazole?
The IUPAC name of 3-(1-ethoxyethyl)-5-iodo-1,2,4-thiadiazole (CID 102618444) is 3-(1-ethoxyethyl)-5-iodo-1,2,4-thiadiazole.
What is the SMILES notation for 3-(1-ethoxyethyl)-5-iodo-1,2,4-thiadiazole?
The canonical SMILES for 3-(1-ethoxyethyl)-5-iodo-1,2,4-thiadiazole is CCOC(C)c1nsc(I)n1.
What is the InChIKey of 3-(1-ethoxyethyl)-5-iodo-1,2,4-thiadiazole?
The InChIKey is VTZBHRMCVZAGSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9IN2OS/c1-3-10-4(2)5-8-6(7)11-9-5/h4H,3H2,1-2H3.
What are the key properties of 3-(1-ethoxyethyl)-5-iodo-1,2,4-thiadiazole?
3-(1-ethoxyethyl)-5-iodo-1,2,4-thiadiazole has a molecular weight of 284.12 g/mol, XLogP of 2.24, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethoxyethyl)-5-iodo-1,2,4-thiadiazole is sourced from PubChem (CID 102618444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).