1-[3-fluoro-4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]-N-methylmethanamine

C11H12FN3OS — CID 55240205

IUPAC1-[3-fluoro-4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]-N-methylmethanamine
SMILESCNCc1ccc(Sc2nnc(C)o2)c(F)c1
InChIInChI=1S/C11H12FN3OS/c1-7-14-15-11(16-7)17-10-4-3-8(6-13-2)5-9(10)12/h3-5,13H,6H2,1-2H3
InChIKeyZHGFZMUAPFKLBY-UHFFFAOYSA-N
MW253.30 g/mol
LogP2.39
Rot. Bonds4

About 1-[3-fluoro-4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]-N-methylmethanamine

1-[3-fluoro-4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]-N-methylmethanamine (PubChem CID 55240205) has the molecular formula C11H12FN3OS and a molecular weight of 253.30 g/mol. Its IUPAC name is 1-[3-fluoro-4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-fluoro-4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]-N-methylmethanamine
PubChem CID55240205
Molecular FormulaC11H12FN3OS
Molecular Weight253.30 g/mol
Exact Mass253.07
IUPAC Name1-[3-fluoro-4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]-N-methylmethanamine
SMILESCNCc1ccc(Sc2nnc(C)o2)c(F)c1
InChIInChI=1S/C11H12FN3OS/c1-7-14-15-11(16-7)17-10-4-3-8(6-13-2)5-9(10)12/h3-5,13H,6H2,1-2H3
InChIKeyZHGFZMUAPFKLBY-UHFFFAOYSA-N
XLogP2.39
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[3-fluoro-4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]-N-methylmethanamine 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 1-[3-fluoro-4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]-N-methylmethanamine?
The IUPAC name of 1-[3-fluoro-4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]-N-methylmethanamine (CID 55240205) is 1-[3-fluoro-4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-fluoro-4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[3-fluoro-4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]-N-methylmethanamine is CNCc1ccc(Sc2nnc(C)o2)c(F)c1.
What is the InChIKey of 1-[3-fluoro-4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]-N-methylmethanamine?
The InChIKey is ZHGFZMUAPFKLBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3OS/c1-7-14-15-11(16-7)17-10-4-3-8(6-13-2)5-9(10)12/h3-5,13H,6H2,1-2H3.
What are the key properties of 1-[3-fluoro-4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]-N-methylmethanamine?
1-[3-fluoro-4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]-N-methylmethanamine has a molecular weight of 253.30 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]-N-methylmethanamine is sourced from PubChem (CID 55240205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).