4-(2-bromoethyl)-5-ethylthiadiazole

C6H9BrN2S — CID 174606360

IUPAC4-(2-bromoethyl)-5-ethylthiadiazole
SMILESCCc1snnc1CCBr
InChIInChI=1S/C6H9BrN2S/c1-2-6-5(3-4-7)8-9-10-6/h2-4H2,1H3
InChIKeyPXZHVDGBQCVQLL-UHFFFAOYSA-N
MW221.12 g/mol
LogP2.04
Rot. Bonds3

About 4-(2-bromoethyl)-5-ethylthiadiazole

4-(2-bromoethyl)-5-ethylthiadiazole (PubChem CID 174606360) has the molecular formula C6H9BrN2S and a molecular weight of 221.12 g/mol. Its IUPAC name is 4-(2-bromoethyl)-5-ethylthiadiazole.

Molecular Properties

Compound Name4-(2-bromoethyl)-5-ethylthiadiazole
PubChem CID174606360
Molecular FormulaC6H9BrN2S
Molecular Weight221.12 g/mol
Exact Mass219.97
IUPAC Name4-(2-bromoethyl)-5-ethylthiadiazole
SMILESCCc1snnc1CCBr
InChIInChI=1S/C6H9BrN2S/c1-2-6-5(3-4-7)8-9-10-6/h2-4H2,1H3
InChIKeyPXZHVDGBQCVQLL-UHFFFAOYSA-N
XLogP2.04
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.12
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(2-bromoethyl)-5-ethylthiadiazole with MolForge

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

Launch Full Analysis

Related Compounds

5-(1-Bromoethyl)-4-methyl-1,2,3-thiadiazole
CID 12679020
5-Ethyl-4-(fluoromethyl)thiadiazole
CID 141237842
5-Ethyl-4-methylthiadiazole
CID 12679017
4-Methyl-5-propylthiadiazole
CID 12913685
5-(1-Bromoethyl)-4-(difluoromethyl)-1,2,3-thiadiazole
CID 165791852
4-Ethyl-5-methylthiadiazole
CID 12679016
5-(Bromomethyl)-4-ethylthiadiazole
CID 65210103
5-Ethyl-4-propan-2-ylthiadiazole
CID 67890638
4,5-Diethylthiadiazole
CID 90298396
5-Methyl-4-propylthiadiazole
CID 119097950
4-Ethyl-5-propan-2-ylthiadiazole
CID 126704775
1-(5-Ethylthiadiazol-4-yl)ethanimine
CID 130291735

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromoethyl)-5-ethylthiadiazole?
The IUPAC name of 4-(2-bromoethyl)-5-ethylthiadiazole (CID 174606360) is 4-(2-bromoethyl)-5-ethylthiadiazole.
What is the SMILES notation for 4-(2-bromoethyl)-5-ethylthiadiazole?
The canonical SMILES for 4-(2-bromoethyl)-5-ethylthiadiazole is CCc1snnc1CCBr.
What is the InChIKey of 4-(2-bromoethyl)-5-ethylthiadiazole?
The InChIKey is PXZHVDGBQCVQLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9BrN2S/c1-2-6-5(3-4-7)8-9-10-6/h2-4H2,1H3.
What are the key properties of 4-(2-bromoethyl)-5-ethylthiadiazole?
4-(2-bromoethyl)-5-ethylthiadiazole has a molecular weight of 221.12 g/mol, XLogP of 2.04, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromoethyl)-5-ethylthiadiazole is sourced from PubChem (CID 174606360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).