2-bromo-5-ethyl-1,3,4-thiadiazole

C4H5BrN2S — CID 23227837

IUPAC2-bromo-5-ethyl-1,3,4-thiadiazole
SMILESCCc1nnc(Br)s1
InChIInChI=1S/C4H5BrN2S/c1-2-3-6-7-4(5)8-3/h2H2,1H3
InChIKeyPZTSIRIHHWRTPI-UHFFFAOYSA-N
MW193.07 g/mol
LogP1.86
Rot. Bonds1

About 2-bromo-5-ethyl-1,3,4-thiadiazole

2-bromo-5-ethyl-1,3,4-thiadiazole (PubChem CID 23227837) has the molecular formula C4H5BrN2S and a molecular weight of 193.07 g/mol. Its IUPAC name is 2-bromo-5-ethyl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-bromo-5-ethyl-1,3,4-thiadiazole
PubChem CID23227837
Molecular FormulaC4H5BrN2S
Molecular Weight193.07 g/mol
Exact Mass191.94
IUPAC Name2-bromo-5-ethyl-1,3,4-thiadiazole
SMILESCCc1nnc(Br)s1
InChIInChI=1S/C4H5BrN2S/c1-2-3-6-7-4(5)8-3/h2H2,1H3
InChIKeyPZTSIRIHHWRTPI-UHFFFAOYSA-N
XLogP1.86
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.07
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-ethyl-1,3,4-thiadiazole?
The IUPAC name of 2-bromo-5-ethyl-1,3,4-thiadiazole (CID 23227837) is 2-bromo-5-ethyl-1,3,4-thiadiazole.
What is the SMILES notation for 2-bromo-5-ethyl-1,3,4-thiadiazole?
The canonical SMILES for 2-bromo-5-ethyl-1,3,4-thiadiazole is CCc1nnc(Br)s1.
What is the InChIKey of 2-bromo-5-ethyl-1,3,4-thiadiazole?
The InChIKey is PZTSIRIHHWRTPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5BrN2S/c1-2-3-6-7-4(5)8-3/h2H2,1H3.
What are the key properties of 2-bromo-5-ethyl-1,3,4-thiadiazole?
2-bromo-5-ethyl-1,3,4-thiadiazole has a molecular weight of 193.07 g/mol, XLogP of 1.86, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-ethyl-1,3,4-thiadiazole is sourced from PubChem (CID 23227837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).