5-(bromomethyl)thiadiazole;hydrobromide

C3H4Br2N2S — CID 119031287

IUPAC5-(bromomethyl)thiadiazole;hydrobromide
SMILESBr.BrCc1cnns1
InChIInChI=1S/C3H3BrN2S.BrH/c4-1-3-2-5-6-7-3;/h2H,1H2;1H
InChIKeyINWWFKBHADGZQO-UHFFFAOYSA-N
MW259.95 g/mol
LogP2.01
Rot. Bonds1

About 5-(bromomethyl)thiadiazole;hydrobromide

5-(bromomethyl)thiadiazole;hydrobromide (PubChem CID 119031287) has the molecular formula C3H4Br2N2S and a molecular weight of 259.95 g/mol. Its IUPAC name is 5-(bromomethyl)thiadiazole;hydrobromide.

Molecular Properties

Compound Name5-(bromomethyl)thiadiazole;hydrobromide
PubChem CID119031287
Molecular FormulaC3H4Br2N2S
Molecular Weight259.95 g/mol
Exact Mass257.85
IUPAC Name5-(bromomethyl)thiadiazole;hydrobromide
SMILESBr.BrCc1cnns1
InChIInChI=1S/C3H3BrN2S.BrH/c4-1-3-2-5-6-7-3;/h2H,1H2;1H
InChIKeyINWWFKBHADGZQO-UHFFFAOYSA-N
XLogP2.01
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.95
LogP ≤ 52.01
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-(bromomethyl)thiadiazole;hydrobromide?
The IUPAC name of 5-(bromomethyl)thiadiazole;hydrobromide (CID 119031287) is 5-(bromomethyl)thiadiazole;hydrobromide.
What is the SMILES notation for 5-(bromomethyl)thiadiazole;hydrobromide?
The canonical SMILES for 5-(bromomethyl)thiadiazole;hydrobromide is Br.BrCc1cnns1.
What is the InChIKey of 5-(bromomethyl)thiadiazole;hydrobromide?
The InChIKey is INWWFKBHADGZQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3BrN2S.BrH/c4-1-3-2-5-6-7-3;/h2H,1H2;1H.
What are the key properties of 5-(bromomethyl)thiadiazole;hydrobromide?
5-(bromomethyl)thiadiazole;hydrobromide has a molecular weight of 259.95 g/mol, XLogP of 2.01, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(bromomethyl)thiadiazole;hydrobromide is sourced from PubChem (CID 119031287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).