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

C5H7BrN2OS — CID 83891011

IUPAC5-bromo-3-(ethoxymethyl)-1,2,4-thiadiazole
SMILESCCOCc1nsc(Br)n1
InChIInChI=1S/C5H7BrN2OS/c1-2-9-3-4-7-5(6)10-8-4/h2-3H2,1H3
InChIKeyFYNVAPAAYZOJLD-UHFFFAOYSA-N
MW223.09 g/mol
LogP1.84
Rot. Bonds3

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

5-bromo-3-(ethoxymethyl)-1,2,4-thiadiazole (PubChem CID 83891011) has the molecular formula C5H7BrN2OS and a molecular weight of 223.09 g/mol. Its IUPAC name is 5-bromo-3-(ethoxymethyl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-bromo-3-(ethoxymethyl)-1,2,4-thiadiazole
PubChem CID83891011
Molecular FormulaC5H7BrN2OS
Molecular Weight223.09 g/mol
Exact Mass221.95
IUPAC Name5-bromo-3-(ethoxymethyl)-1,2,4-thiadiazole
SMILESCCOCc1nsc(Br)n1
InChIInChI=1S/C5H7BrN2OS/c1-2-9-3-4-7-5(6)10-8-4/h2-3H2,1H3
InChIKeyFYNVAPAAYZOJLD-UHFFFAOYSA-N
XLogP1.84
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.09
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(ethoxymethyl)-1,2,4-thiadiazole?
The IUPAC name of 5-bromo-3-(ethoxymethyl)-1,2,4-thiadiazole (CID 83891011) is 5-bromo-3-(ethoxymethyl)-1,2,4-thiadiazole.
What is the SMILES notation for 5-bromo-3-(ethoxymethyl)-1,2,4-thiadiazole?
The canonical SMILES for 5-bromo-3-(ethoxymethyl)-1,2,4-thiadiazole is CCOCc1nsc(Br)n1.
What is the InChIKey of 5-bromo-3-(ethoxymethyl)-1,2,4-thiadiazole?
The InChIKey is FYNVAPAAYZOJLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7BrN2OS/c1-2-9-3-4-7-5(6)10-8-4/h2-3H2,1H3.
What are the key properties of 5-bromo-3-(ethoxymethyl)-1,2,4-thiadiazole?
5-bromo-3-(ethoxymethyl)-1,2,4-thiadiazole has a molecular weight of 223.09 g/mol, XLogP of 1.84, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(ethoxymethyl)-1,2,4-thiadiazole is sourced from PubChem (CID 83891011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).