[5-[(4-bromo-2-fluorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]methanamine

C10H9BrFN3OS — CID 43841927

IUPAC[5-[(4-bromo-2-fluorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]methanamine
SMILESNCc1nnc(SCc2ccc(Br)cc2F)o1
InChIInChI=1S/C10H9BrFN3OS/c11-7-2-1-6(8(12)3-7)5-17-10-15-14-9(4-13)16-10/h1-3H,4-5,13H2
InChIKeyZCCGYPQEUZXIQS-UHFFFAOYSA-N
MW318.17 g/mol
LogP2.72
Rot. Bonds4

About [5-[(4-bromo-2-fluorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]methanamine

[5-[(4-bromo-2-fluorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]methanamine (PubChem CID 43841927) has the molecular formula C10H9BrFN3OS and a molecular weight of 318.17 g/mol. Its IUPAC name is [5-[(4-bromo-2-fluorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]methanamine.

Molecular Properties

Compound Name[5-[(4-bromo-2-fluorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]methanamine
PubChem CID43841927
Molecular FormulaC10H9BrFN3OS
Molecular Weight318.17 g/mol
Exact Mass316.96
IUPAC Name[5-[(4-bromo-2-fluorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]methanamine
SMILESNCc1nnc(SCc2ccc(Br)cc2F)o1
InChIInChI=1S/C10H9BrFN3OS/c11-7-2-1-6(8(12)3-7)5-17-10-15-14-9(4-13)16-10/h1-3H,4-5,13H2
InChIKeyZCCGYPQEUZXIQS-UHFFFAOYSA-N
XLogP2.72
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.17
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [5-[(4-bromo-2-fluorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]methanamine 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 [5-[(4-bromo-2-fluorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]methanamine?
The IUPAC name of [5-[(4-bromo-2-fluorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]methanamine (CID 43841927) is [5-[(4-bromo-2-fluorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]methanamine.
What is the SMILES notation for [5-[(4-bromo-2-fluorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]methanamine?
The canonical SMILES for [5-[(4-bromo-2-fluorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]methanamine is NCc1nnc(SCc2ccc(Br)cc2F)o1.
What is the InChIKey of [5-[(4-bromo-2-fluorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]methanamine?
The InChIKey is ZCCGYPQEUZXIQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrFN3OS/c11-7-2-1-6(8(12)3-7)5-17-10-15-14-9(4-13)16-10/h1-3H,4-5,13H2.
What are the key properties of [5-[(4-bromo-2-fluorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]methanamine?
[5-[(4-bromo-2-fluorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]methanamine has a molecular weight of 318.17 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(4-bromo-2-fluorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]methanamine is sourced from PubChem (CID 43841927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).