4-[(4-bromo-2-fluorophenoxy)methyl]-N-ethylthiadiazol-5-amine

C11H11BrFN3OS — CID 62193788

IUPAC4-[(4-bromo-2-fluorophenoxy)methyl]-N-ethylthiadiazol-5-amine
SMILESCCNc1snnc1COc1ccc(Br)cc1F
InChIInChI=1S/C11H11BrFN3OS/c1-2-14-11-9(15-16-18-11)6-17-10-4-3-7(12)5-8(10)13/h3-5,14H,2,6H2,1H3
InChIKeyBXCWSNJGRDAYCM-UHFFFAOYSA-N
MW332.20 g/mol
LogP3.45
Rot. Bonds5

About 4-[(4-bromo-2-fluorophenoxy)methyl]-N-ethylthiadiazol-5-amine

4-[(4-bromo-2-fluorophenoxy)methyl]-N-ethylthiadiazol-5-amine (PubChem CID 62193788) has the molecular formula C11H11BrFN3OS and a molecular weight of 332.20 g/mol. Its IUPAC name is 4-[(4-bromo-2-fluorophenoxy)methyl]-N-ethylthiadiazol-5-amine.

Molecular Properties

Compound Name4-[(4-bromo-2-fluorophenoxy)methyl]-N-ethylthiadiazol-5-amine
PubChem CID62193788
Molecular FormulaC11H11BrFN3OS
Molecular Weight332.20 g/mol
Exact Mass330.98
IUPAC Name4-[(4-bromo-2-fluorophenoxy)methyl]-N-ethylthiadiazol-5-amine
SMILESCCNc1snnc1COc1ccc(Br)cc1F
InChIInChI=1S/C11H11BrFN3OS/c1-2-14-11-9(15-16-18-11)6-17-10-4-3-7(12)5-8(10)13/h3-5,14H,2,6H2,1H3
InChIKeyBXCWSNJGRDAYCM-UHFFFAOYSA-N
XLogP3.45
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.20
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[(4-bromo-2-fluorophenoxy)methyl]-N-ethylthiadiazol-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(4-bromo-2-fluorophenoxy)methyl]-N-ethylthiadiazol-5-amine?
The IUPAC name of 4-[(4-bromo-2-fluorophenoxy)methyl]-N-ethylthiadiazol-5-amine (CID 62193788) is 4-[(4-bromo-2-fluorophenoxy)methyl]-N-ethylthiadiazol-5-amine.
What is the SMILES notation for 4-[(4-bromo-2-fluorophenoxy)methyl]-N-ethylthiadiazol-5-amine?
The canonical SMILES for 4-[(4-bromo-2-fluorophenoxy)methyl]-N-ethylthiadiazol-5-amine is CCNc1snnc1COc1ccc(Br)cc1F.
What is the InChIKey of 4-[(4-bromo-2-fluorophenoxy)methyl]-N-ethylthiadiazol-5-amine?
The InChIKey is BXCWSNJGRDAYCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrFN3OS/c1-2-14-11-9(15-16-18-11)6-17-10-4-3-7(12)5-8(10)13/h3-5,14H,2,6H2,1H3.
What are the key properties of 4-[(4-bromo-2-fluorophenoxy)methyl]-N-ethylthiadiazol-5-amine?
4-[(4-bromo-2-fluorophenoxy)methyl]-N-ethylthiadiazol-5-amine has a molecular weight of 332.20 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-bromo-2-fluorophenoxy)methyl]-N-ethylthiadiazol-5-amine is sourced from PubChem (CID 62193788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).