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

C13H16FN3OS — CID 55053396

IUPACN-ethyl-1-[5-fluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]ethanamine
SMILESCCNC(C)c1cc(F)ccc1Sc1nnc(C)o1
InChIInChI=1S/C13H16FN3OS/c1-4-15-8(2)11-7-10(14)5-6-12(11)19-13-17-16-9(3)18-13/h5-8,15H,4H2,1-3H3
InChIKeyQDZOYLSOHDJPSV-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.34
Rot. Bonds5

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

N-ethyl-1-[5-fluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]ethanamine (PubChem CID 55053396) has the molecular formula C13H16FN3OS and a molecular weight of 281.36 g/mol. Its IUPAC name is N-ethyl-1-[5-fluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-1-[5-fluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]ethanamine
PubChem CID55053396
Molecular FormulaC13H16FN3OS
Molecular Weight281.36 g/mol
Exact Mass281.10
IUPAC NameN-ethyl-1-[5-fluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]ethanamine
SMILESCCNC(C)c1cc(F)ccc1Sc1nnc(C)o1
InChIInChI=1S/C13H16FN3OS/c1-4-15-8(2)11-7-10(14)5-6-12(11)19-13-17-16-9(3)18-13/h5-8,15H,4H2,1-3H3
InChIKeyQDZOYLSOHDJPSV-UHFFFAOYSA-N
XLogP3.34
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[5-fluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]ethanamine?
The IUPAC name of N-ethyl-1-[5-fluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]ethanamine (CID 55053396) is N-ethyl-1-[5-fluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]ethanamine.
What is the SMILES notation for N-ethyl-1-[5-fluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]ethanamine?
The canonical SMILES for N-ethyl-1-[5-fluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]ethanamine is CCNC(C)c1cc(F)ccc1Sc1nnc(C)o1.
What is the InChIKey of N-ethyl-1-[5-fluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]ethanamine?
The InChIKey is QDZOYLSOHDJPSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3OS/c1-4-15-8(2)11-7-10(14)5-6-12(11)19-13-17-16-9(3)18-13/h5-8,15H,4H2,1-3H3.
What are the key properties of N-ethyl-1-[5-fluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]ethanamine?
N-ethyl-1-[5-fluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]ethanamine has a molecular weight of 281.36 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[5-fluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]ethanamine is sourced from PubChem (CID 55053396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).