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

C6H9BrN2OS — CID 106815809

IUPAC5-bromo-3-(2-ethoxyethyl)-1,2,4-thiadiazole
SMILESCCOCCc1nsc(Br)n1
InChIInChI=1S/C6H9BrN2OS/c1-2-10-4-3-5-8-6(7)11-9-5/h2-4H2,1H3
InChIKeyXRNHPJDSPVLAKX-UHFFFAOYSA-N
MW237.12 g/mol
LogP1.88
Rot. Bonds4

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

5-bromo-3-(2-ethoxyethyl)-1,2,4-thiadiazole (PubChem CID 106815809) has the molecular formula C6H9BrN2OS and a molecular weight of 237.12 g/mol. Its IUPAC name is 5-bromo-3-(2-ethoxyethyl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-bromo-3-(2-ethoxyethyl)-1,2,4-thiadiazole
PubChem CID106815809
Molecular FormulaC6H9BrN2OS
Molecular Weight237.12 g/mol
Exact Mass235.96
IUPAC Name5-bromo-3-(2-ethoxyethyl)-1,2,4-thiadiazole
SMILESCCOCCc1nsc(Br)n1
InChIInChI=1S/C6H9BrN2OS/c1-2-10-4-3-5-8-6(7)11-9-5/h2-4H2,1H3
InChIKeyXRNHPJDSPVLAKX-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

5-Chloro-3-(2-methoxyethyl)-1,2,4-thiadiazole
CID 46318478
5-Bromo-3-ethyl-1,2,4-thiadiazole
CID 53418423
3-(2-Methoxyethyl)-1,2,4-thiadiazol-5-amine
CID 61412549
5-Bromo-3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-thiadiazole
CID 103151209
5-Bromo-3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-thiadiazole
CID 103151210
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
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
5-Methoxy-3-propan-2-yl-1,2,4-thiadiazole
CID 166552886

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(2-ethoxyethyl)-1,2,4-thiadiazole?
The IUPAC name of 5-bromo-3-(2-ethoxyethyl)-1,2,4-thiadiazole (CID 106815809) is 5-bromo-3-(2-ethoxyethyl)-1,2,4-thiadiazole.
What is the SMILES notation for 5-bromo-3-(2-ethoxyethyl)-1,2,4-thiadiazole?
The canonical SMILES for 5-bromo-3-(2-ethoxyethyl)-1,2,4-thiadiazole is CCOCCc1nsc(Br)n1.
What is the InChIKey of 5-bromo-3-(2-ethoxyethyl)-1,2,4-thiadiazole?
The InChIKey is XRNHPJDSPVLAKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9BrN2OS/c1-2-10-4-3-5-8-6(7)11-9-5/h2-4H2,1H3.
What are the key properties of 5-bromo-3-(2-ethoxyethyl)-1,2,4-thiadiazole?
5-bromo-3-(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 5-bromo-3-(2-ethoxyethyl)-1,2,4-thiadiazole is sourced from PubChem (CID 106815809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).