5-(bromomethyl)-4-ethylthiadiazole

C5H7BrN2S — CID 65210103

IUPAC5-(bromomethyl)-4-ethylthiadiazole
SMILESCCc1nnsc1CBr
InChIInChI=1S/C5H7BrN2S/c1-2-4-5(3-6)9-8-7-4/h2-3H2,1H3
InChIKeyLNUFNHRMSQVZQI-UHFFFAOYSA-N
MW207.10 g/mol
LogP2.00
Rot. Bonds2

About 5-(bromomethyl)-4-ethylthiadiazole

5-(bromomethyl)-4-ethylthiadiazole (PubChem CID 65210103) has the molecular formula C5H7BrN2S and a molecular weight of 207.10 g/mol. Its IUPAC name is 5-(bromomethyl)-4-ethylthiadiazole.

Molecular Properties

Compound Name5-(bromomethyl)-4-ethylthiadiazole
PubChem CID65210103
Molecular FormulaC5H7BrN2S
Molecular Weight207.10 g/mol
Exact Mass205.95
IUPAC Name5-(bromomethyl)-4-ethylthiadiazole
SMILESCCc1nnsc1CBr
InChIInChI=1S/C5H7BrN2S/c1-2-4-5(3-6)9-8-7-4/h2-3H2,1H3
InChIKeyLNUFNHRMSQVZQI-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'}

Analyze 5-(bromomethyl)-4-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

CID 12679020
CID 12679020
CID 141237802
CID 141237802
CID 141237842
CID 141237842
CID 12679017
CID 12679017
CID 165791852
CID 165791852
CID 12679016
CID 12679016
CID 12913687
CID 12913687
CID 12913692
CID 12913692
CID 59769353
CID 59769353
CID 90298396
CID 90298396
CID 126703662
CID 126703662
CID 126703805
CID 126703805

Frequently Asked Questions

What is the IUPAC name of 5-(bromomethyl)-4-ethylthiadiazole?
The IUPAC name of 5-(bromomethyl)-4-ethylthiadiazole (CID 65210103) is 5-(bromomethyl)-4-ethylthiadiazole.
What is the SMILES notation for 5-(bromomethyl)-4-ethylthiadiazole?
The canonical SMILES for 5-(bromomethyl)-4-ethylthiadiazole is CCc1nnsc1CBr.
What is the InChIKey of 5-(bromomethyl)-4-ethylthiadiazole?
The InChIKey is LNUFNHRMSQVZQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7BrN2S/c1-2-4-5(3-6)9-8-7-4/h2-3H2,1H3.
What are the key properties of 5-(bromomethyl)-4-ethylthiadiazole?
5-(bromomethyl)-4-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 5-(bromomethyl)-4-ethylthiadiazole is sourced from PubChem (CID 65210103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).