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

C7H9BrN2S — CID 63383902

IUPAC2-bromo-5-cyclopentyl-1,3,4-thiadiazole
SMILESBrc1nnc(C2CCCC2)s1
InChIInChI=1S/C7H9BrN2S/c8-7-10-9-6(11-7)5-3-1-2-4-5/h5H,1-4H2
InChIKeyBAIJVEXVTVBSQM-UHFFFAOYSA-N
MW233.13 g/mol
LogP2.96
Rot. Bonds1

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

2-bromo-5-cyclopentyl-1,3,4-thiadiazole (PubChem CID 63383902) has the molecular formula C7H9BrN2S and a molecular weight of 233.13 g/mol. Its IUPAC name is 2-bromo-5-cyclopentyl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-bromo-5-cyclopentyl-1,3,4-thiadiazole
PubChem CID63383902
Molecular FormulaC7H9BrN2S
Molecular Weight233.13 g/mol
Exact Mass231.97
IUPAC Name2-bromo-5-cyclopentyl-1,3,4-thiadiazole
SMILESBrc1nnc(C2CCCC2)s1
InChIInChI=1S/C7H9BrN2S/c8-7-10-9-6(11-7)5-3-1-2-4-5/h5H,1-4H2
InChIKeyBAIJVEXVTVBSQM-UHFFFAOYSA-N
XLogP2.96
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.13
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-bromo-5-cyclopentyl-1,3,4-thiadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-cyclopentyl-1,3,4-thiadiazole?
The IUPAC name of 2-bromo-5-cyclopentyl-1,3,4-thiadiazole (CID 63383902) is 2-bromo-5-cyclopentyl-1,3,4-thiadiazole.
What is the SMILES notation for 2-bromo-5-cyclopentyl-1,3,4-thiadiazole?
The canonical SMILES for 2-bromo-5-cyclopentyl-1,3,4-thiadiazole is Brc1nnc(C2CCCC2)s1.
What is the InChIKey of 2-bromo-5-cyclopentyl-1,3,4-thiadiazole?
The InChIKey is BAIJVEXVTVBSQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BrN2S/c8-7-10-9-6(11-7)5-3-1-2-4-5/h5H,1-4H2.
What are the key properties of 2-bromo-5-cyclopentyl-1,3,4-thiadiazole?
2-bromo-5-cyclopentyl-1,3,4-thiadiazole has a molecular weight of 233.13 g/mol, XLogP of 2.96, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-cyclopentyl-1,3,4-thiadiazole is sourced from PubChem (CID 63383902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).