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

C7H11BrN2OS — CID 102943432

IUPAC3-bromo-5-(2-propoxyethyl)-1,2,4-thiadiazole
SMILESCCCOCCc1nc(Br)ns1
InChIInChI=1S/C7H11BrN2OS/c1-2-4-11-5-3-6-9-7(8)10-12-6/h2-5H2,1H3
InChIKeyJOZDSRGCGNISPM-UHFFFAOYSA-N
MW251.15 g/mol
LogP2.27
Rot. Bonds5

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

3-bromo-5-(2-propoxyethyl)-1,2,4-thiadiazole (PubChem CID 102943432) has the molecular formula C7H11BrN2OS and a molecular weight of 251.15 g/mol. Its IUPAC name is 3-bromo-5-(2-propoxyethyl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-bromo-5-(2-propoxyethyl)-1,2,4-thiadiazole
PubChem CID102943432
Molecular FormulaC7H11BrN2OS
Molecular Weight251.15 g/mol
Exact Mass249.98
IUPAC Name3-bromo-5-(2-propoxyethyl)-1,2,4-thiadiazole
SMILESCCCOCCc1nc(Br)ns1
InChIInChI=1S/C7H11BrN2OS/c1-2-4-11-5-3-6-9-7(8)10-12-6/h2-5H2,1H3
InChIKeyJOZDSRGCGNISPM-UHFFFAOYSA-N
XLogP2.27
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.15
LogP ≤ 52.27
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-propoxyethyl)-1,2,4-thiadiazole?
The IUPAC name of 3-bromo-5-(2-propoxyethyl)-1,2,4-thiadiazole (CID 102943432) is 3-bromo-5-(2-propoxyethyl)-1,2,4-thiadiazole.
What is the SMILES notation for 3-bromo-5-(2-propoxyethyl)-1,2,4-thiadiazole?
The canonical SMILES for 3-bromo-5-(2-propoxyethyl)-1,2,4-thiadiazole is CCCOCCc1nc(Br)ns1.
What is the InChIKey of 3-bromo-5-(2-propoxyethyl)-1,2,4-thiadiazole?
The InChIKey is JOZDSRGCGNISPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11BrN2OS/c1-2-4-11-5-3-6-9-7(8)10-12-6/h2-5H2,1H3.
What are the key properties of 3-bromo-5-(2-propoxyethyl)-1,2,4-thiadiazole?
3-bromo-5-(2-propoxyethyl)-1,2,4-thiadiazole has a molecular weight of 251.15 g/mol, XLogP of 2.27, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-(2-propoxyethyl)-1,2,4-thiadiazole is sourced from PubChem (CID 102943432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).