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

C6H9BrN2OS — CID 102943193

IUPAC3-bromo-5-(2-ethoxyethyl)-1,2,4-thiadiazole
SMILESCCOCCc1nc(Br)ns1
InChIInChI=1S/C6H9BrN2OS/c1-2-10-4-3-5-8-6(7)9-11-5/h2-4H2,1H3
InChIKeyJQWDLSLUDNWHME-UHFFFAOYSA-N
MW237.12 g/mol
LogP1.88
Rot. Bonds4

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

3-bromo-5-(2-ethoxyethyl)-1,2,4-thiadiazole (PubChem CID 102943193) has the molecular formula C6H9BrN2OS and a molecular weight of 237.12 g/mol. Its IUPAC name is 3-bromo-5-(2-ethoxyethyl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-bromo-5-(2-ethoxyethyl)-1,2,4-thiadiazole
PubChem CID102943193
Molecular FormulaC6H9BrN2OS
Molecular Weight237.12 g/mol
Exact Mass235.96
IUPAC Name3-bromo-5-(2-ethoxyethyl)-1,2,4-thiadiazole
SMILESCCOCCc1nc(Br)ns1
InChIInChI=1S/C6H9BrN2OS/c1-2-10-4-3-5-8-6(7)9-11-5/h2-4H2,1H3
InChIKeyJQWDLSLUDNWHME-UHFFFAOYSA-N
XLogP1.88
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.12
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-But-2-ynoxy-5-ethyl-1,2,4-thiadiazole
CID 90741617
5-Ethyl-3-methoxy-1,2,4-thiadiazole
CID 118152555
3-Methoxy-5-propan-2-yl-1,2,4-thiadiazole
CID 134442994
3-Bromo-5-(2-ethoxyethynyl)-1,2,4-thiadiazole
CID 141498485
5-(2-Methoxyethyl)-3-methyl-1,2,4-thiadiazole
CID 142566044
3-(2-Methoxyethyl)-5-methyl-1,2,4-thiadiazole
CID 142566079
3-Ethoxy-5-methyl-1,2,4-thiadiazole
CID 149349626
5-Ethyl-3-(2-methoxyethoxy)-1,2,4-thiadiazole
CID 155406622
3-(2-Methoxyethyl)-5-propan-2-yl-1,2,4-thiadiazole
CID 178845697
5-(2-Propoxyethyl)-1,2,4-thiadiazol-3-amine
CID 64538814
5-(2-Ethoxyethyl)-1,2,4-thiadiazol-3-amine
CID 64545067
5-(2-Methoxyethyl)-1,2,4-thiadiazol-3-amine
CID 64545277

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-(2-ethoxyethyl)-1,2,4-thiadiazole?
The IUPAC name of 3-bromo-5-(2-ethoxyethyl)-1,2,4-thiadiazole (CID 102943193) is 3-bromo-5-(2-ethoxyethyl)-1,2,4-thiadiazole.
What is the SMILES notation for 3-bromo-5-(2-ethoxyethyl)-1,2,4-thiadiazole?
The canonical SMILES for 3-bromo-5-(2-ethoxyethyl)-1,2,4-thiadiazole is CCOCCc1nc(Br)ns1.
What is the InChIKey of 3-bromo-5-(2-ethoxyethyl)-1,2,4-thiadiazole?
The InChIKey is JQWDLSLUDNWHME-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9BrN2OS/c1-2-10-4-3-5-8-6(7)9-11-5/h2-4H2,1H3.
What are the key properties of 3-bromo-5-(2-ethoxyethyl)-1,2,4-thiadiazole?
3-bromo-5-(2-ethoxyethyl)-1,2,4-thiadiazole has a molecular weight of 237.12 g/mol, XLogP of 1.88, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-(2-ethoxyethyl)-1,2,4-thiadiazole is sourced from PubChem (CID 102943193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).