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

C5H7IN2OS — CID 102618489

IUPAC3-(ethoxymethyl)-5-iodo-1,2,4-thiadiazole
SMILESCCOCc1nsc(I)n1
InChIInChI=1S/C5H7IN2OS/c1-2-9-3-4-7-5(6)10-8-4/h2-3H2,1H3
InChIKeyAJIYDFGEULPKRC-UHFFFAOYSA-N
MW270.09 g/mol
LogP1.68
Rot. Bonds3

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

3-(ethoxymethyl)-5-iodo-1,2,4-thiadiazole (PubChem CID 102618489) has the molecular formula C5H7IN2OS and a molecular weight of 270.09 g/mol. Its IUPAC name is 3-(ethoxymethyl)-5-iodo-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-(ethoxymethyl)-5-iodo-1,2,4-thiadiazole
PubChem CID102618489
Molecular FormulaC5H7IN2OS
Molecular Weight270.09 g/mol
Exact Mass269.93
IUPAC Name3-(ethoxymethyl)-5-iodo-1,2,4-thiadiazole
SMILESCCOCc1nsc(I)n1
InChIInChI=1S/C5H7IN2OS/c1-2-9-3-4-7-5(6)10-8-4/h2-3H2,1H3
InChIKeyAJIYDFGEULPKRC-UHFFFAOYSA-N
XLogP1.68
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.09
LogP ≤ 51.68
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

3-(Methoxymethyl)-1,2,4-thiadiazol-5-amine
CID 21688992
5-Chloro-3-(methoxymethyl)-1,2,4-thiadiazole
CID 54094790
5-Chloro-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-thiadiazole
CID 103476977
5-Iodo-3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-thiadiazole
CID 103476980
5-Iodo-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-thiadiazole
CID 103476981
5-Bromo-3-(methoxymethyl)-1,2,4-thiadiazole
CID 83884227
5-Ethoxy-3-methyl-1,2,4-thiadiazole
CID 119096458
3-(Ethoxymethyl)-5-methyl-1,2,4-thiadiazole
CID 135170708
3-(Methoxymethyl)-5-methyl-1,2,4-thiadiazole
CID 142566137
5-(Methoxymethyl)-3-methyl-1,2,4-thiadiazole
CID 142566183
5-Chloro-3-(methoxymethyl)-1,2,4-thiadiazole;propane
CID 143141471
Ethyl 3-methyl-1,2,4-thiadiazole-5-carboximidate
CID 176669131

Frequently Asked Questions

What is the IUPAC name of 3-(ethoxymethyl)-5-iodo-1,2,4-thiadiazole?
The IUPAC name of 3-(ethoxymethyl)-5-iodo-1,2,4-thiadiazole (CID 102618489) is 3-(ethoxymethyl)-5-iodo-1,2,4-thiadiazole.
What is the SMILES notation for 3-(ethoxymethyl)-5-iodo-1,2,4-thiadiazole?
The canonical SMILES for 3-(ethoxymethyl)-5-iodo-1,2,4-thiadiazole is CCOCc1nsc(I)n1.
What is the InChIKey of 3-(ethoxymethyl)-5-iodo-1,2,4-thiadiazole?
The InChIKey is AJIYDFGEULPKRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7IN2OS/c1-2-9-3-4-7-5(6)10-8-4/h2-3H2,1H3.
What are the key properties of 3-(ethoxymethyl)-5-iodo-1,2,4-thiadiazole?
3-(ethoxymethyl)-5-iodo-1,2,4-thiadiazole has a molecular weight of 270.09 g/mol, XLogP of 1.68, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethoxymethyl)-5-iodo-1,2,4-thiadiazole is sourced from PubChem (CID 102618489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).