5-(2-bromoethyl)-4-methylthiadiazole

C5H7BrN2S — CID 130892943

IUPAC5-(2-bromoethyl)-4-methylthiadiazole
SMILESCc1nnsc1CCBr
InChIInChI=1S/C5H7BrN2S/c1-4-5(2-3-6)9-8-7-4/h2-3H2,1H3
InChIKeyHPXINSMHUOIIAU-UHFFFAOYSA-N
MW207.10 g/mol
LogP1.78
Rot. Bonds2

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

5-(2-bromoethyl)-4-methylthiadiazole (PubChem CID 130892943) has the molecular formula C5H7BrN2S and a molecular weight of 207.10 g/mol. Its IUPAC name is 5-(2-bromoethyl)-4-methylthiadiazole.

Molecular Properties

Compound Name5-(2-bromoethyl)-4-methylthiadiazole
PubChem CID130892943
Molecular FormulaC5H7BrN2S
Molecular Weight207.10 g/mol
Exact Mass205.95
IUPAC Name5-(2-bromoethyl)-4-methylthiadiazole
SMILESCc1nnsc1CCBr
InChIInChI=1S/C5H7BrN2S/c1-4-5(2-3-6)9-8-7-4/h2-3H2,1H3
InChIKeyHPXINSMHUOIIAU-UHFFFAOYSA-N
XLogP1.78
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 ≤ 51.78
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-bromoethyl)-4-methylthiadiazole?
The IUPAC name of 5-(2-bromoethyl)-4-methylthiadiazole (CID 130892943) is 5-(2-bromoethyl)-4-methylthiadiazole.
What is the SMILES notation for 5-(2-bromoethyl)-4-methylthiadiazole?
The canonical SMILES for 5-(2-bromoethyl)-4-methylthiadiazole is Cc1nnsc1CCBr.
What is the InChIKey of 5-(2-bromoethyl)-4-methylthiadiazole?
The InChIKey is HPXINSMHUOIIAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7BrN2S/c1-4-5(2-3-6)9-8-7-4/h2-3H2,1H3.
What are the key properties of 5-(2-bromoethyl)-4-methylthiadiazole?
5-(2-bromoethyl)-4-methylthiadiazole has a molecular weight of 207.10 g/mol, XLogP of 1.78, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromoethyl)-4-methylthiadiazole is sourced from PubChem (CID 130892943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).