4-(bromomethyl)-5-ethylthiadiazole

C5H7BrN2S — CID 141237846

IUPAC4-(bromomethyl)-5-ethylthiadiazole
SMILESCCc1snnc1CBr
InChIInChI=1S/C5H7BrN2S/c1-2-5-4(3-6)7-8-9-5/h2-3H2,1H3
InChIKeyDNBGPWIHIMQYJV-UHFFFAOYSA-N
MW207.10 g/mol
LogP2.00
Rot. Bonds2

About 4-(bromomethyl)-5-ethylthiadiazole

4-(bromomethyl)-5-ethylthiadiazole (PubChem CID 141237846) has the molecular formula C5H7BrN2S and a molecular weight of 207.10 g/mol. Its IUPAC name is 4-(bromomethyl)-5-ethylthiadiazole.

Molecular Properties

Compound Name4-(bromomethyl)-5-ethylthiadiazole
PubChem CID141237846
Molecular FormulaC5H7BrN2S
Molecular Weight207.10 g/mol
Exact Mass205.95
IUPAC Name4-(bromomethyl)-5-ethylthiadiazole
SMILESCCc1snnc1CBr
InChIInChI=1S/C5H7BrN2S/c1-2-5-4(3-6)7-8-9-5/h2-3H2,1H3
InChIKeyDNBGPWIHIMQYJV-UHFFFAOYSA-N
XLogP2.00
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 ≤ 52.00
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 4-(bromomethyl)-5-ethylthiadiazole?
The IUPAC name of 4-(bromomethyl)-5-ethylthiadiazole (CID 141237846) is 4-(bromomethyl)-5-ethylthiadiazole.
What is the SMILES notation for 4-(bromomethyl)-5-ethylthiadiazole?
The canonical SMILES for 4-(bromomethyl)-5-ethylthiadiazole is CCc1snnc1CBr.
What is the InChIKey of 4-(bromomethyl)-5-ethylthiadiazole?
The InChIKey is DNBGPWIHIMQYJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7BrN2S/c1-2-5-4(3-6)7-8-9-5/h2-3H2,1H3.
What are the key properties of 4-(bromomethyl)-5-ethylthiadiazole?
4-(bromomethyl)-5-ethylthiadiazole has a molecular weight of 207.10 g/mol, XLogP of 2.00, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-5-ethylthiadiazole is sourced from PubChem (CID 141237846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).