5-(2-bromopropyl)-1,2,4-thiadiazole

C5H7BrN2S — CID 65280805

IUPAC5-(2-bromopropyl)-1,2,4-thiadiazole
SMILESCC(Br)Cc1ncns1
InChIInChI=1S/C5H7BrN2S/c1-4(6)2-5-7-3-8-9-5/h3-4H,2H2,1H3
InChIKeySWDSKFMEUMVFNQ-UHFFFAOYSA-N
MW207.10 g/mol
LogP1.86
Rot. Bonds2

About 5-(2-bromopropyl)-1,2,4-thiadiazole

5-(2-bromopropyl)-1,2,4-thiadiazole (PubChem CID 65280805) has the molecular formula C5H7BrN2S and a molecular weight of 207.10 g/mol. Its IUPAC name is 5-(2-bromopropyl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-(2-bromopropyl)-1,2,4-thiadiazole
PubChem CID65280805
Molecular FormulaC5H7BrN2S
Molecular Weight207.10 g/mol
Exact Mass205.95
IUPAC Name5-(2-bromopropyl)-1,2,4-thiadiazole
SMILESCC(Br)Cc1ncns1
InChIInChI=1S/C5H7BrN2S/c1-4(6)2-5-7-3-8-9-5/h3-4H,2H2,1H3
InChIKeySWDSKFMEUMVFNQ-UHFFFAOYSA-N
XLogP1.86
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.10
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(2-bromopropyl)-1,2,4-thiadiazole?
The IUPAC name of 5-(2-bromopropyl)-1,2,4-thiadiazole (CID 65280805) is 5-(2-bromopropyl)-1,2,4-thiadiazole.
What is the SMILES notation for 5-(2-bromopropyl)-1,2,4-thiadiazole?
The canonical SMILES for 5-(2-bromopropyl)-1,2,4-thiadiazole is CC(Br)Cc1ncns1.
What is the InChIKey of 5-(2-bromopropyl)-1,2,4-thiadiazole?
The InChIKey is SWDSKFMEUMVFNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7BrN2S/c1-4(6)2-5-7-3-8-9-5/h3-4H,2H2,1H3.
What are the key properties of 5-(2-bromopropyl)-1,2,4-thiadiazole?
5-(2-bromopropyl)-1,2,4-thiadiazole has a molecular weight of 207.10 g/mol, XLogP of 1.86, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromopropyl)-1,2,4-thiadiazole is sourced from PubChem (CID 65280805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).