5-bromothiadiazolidine

C2H5BrN2S — CID 166968858

IUPAC5-bromothiadiazolidine
SMILESBrC1CNNS1
InChIInChI=1S/C2H5BrN2S/c3-2-1-4-5-6-2/h2,4-5H,1H2
InChIKeyWAIRVTMWRQACTN-UHFFFAOYSA-N
MW169.05 g/mol
LogP0.46
Rot. Bonds

About 5-bromothiadiazolidine

5-bromothiadiazolidine (PubChem CID 166968858) has the molecular formula C2H5BrN2S and a molecular weight of 169.05 g/mol. Its IUPAC name is 5-bromothiadiazolidine.

Molecular Properties

Compound Name5-bromothiadiazolidine
PubChem CID166968858
Molecular FormulaC2H5BrN2S
Molecular Weight169.05 g/mol
Exact Mass167.94
IUPAC Name5-bromothiadiazolidine
SMILESBrC1CNNS1
InChIInChI=1S/C2H5BrN2S/c3-2-1-4-5-6-2/h2,4-5H,1H2
InChIKeyWAIRVTMWRQACTN-UHFFFAOYSA-N
XLogP0.46
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.05
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-bromothiadiazolidine?
The IUPAC name of 5-bromothiadiazolidine (CID 166968858) is 5-bromothiadiazolidine.
What is the SMILES notation for 5-bromothiadiazolidine?
The canonical SMILES for 5-bromothiadiazolidine is BrC1CNNS1.
What is the InChIKey of 5-bromothiadiazolidine?
The InChIKey is WAIRVTMWRQACTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5BrN2S/c3-2-1-4-5-6-2/h2,4-5H,1H2.
What are the key properties of 5-bromothiadiazolidine?
5-bromothiadiazolidine has a molecular weight of 169.05 g/mol, XLogP of 0.46, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromothiadiazolidine is sourced from PubChem (CID 166968858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).