N-ethyl-2-[5-fluoro-2-methyl-4-[(3-phenyl-1,2,4-thiadiazol-5-yl)oxy]phenyl]-N-methylethanamine

C20H22FN3OS — CID 71290610

IUPACN-ethyl-2-[5-fluoro-2-methyl-4-[(3-phenyl-1,2,4-thiadiazol-5-yl)oxy]phenyl]-N-methylethanamine
SMILESCCN(C)CCc1cc(F)c(Oc2nc(-c3ccccc3)ns2)cc1C
InChIInChI=1S/C20H22FN3OS/c1-4-24(3)11-10-16-13-17(21)18(12-14(16)2)25-20-22-19(23-26-20)15-8-6-5-7-9-15/h5-9,12-13H,4,10-11H2,1-3H3
InChIKeyNDFNADWYIMXEMY-UHFFFAOYSA-N
MW371.48 g/mol
LogP4.94
Rot. Bonds7

About N-ethyl-2-[5-fluoro-2-methyl-4-[(3-phenyl-1,2,4-thiadiazol-5-yl)oxy]phenyl]-N-methylethanamine

N-ethyl-2-[5-fluoro-2-methyl-4-[(3-phenyl-1,2,4-thiadiazol-5-yl)oxy]phenyl]-N-methylethanamine (PubChem CID 71290610) has the molecular formula C20H22FN3OS and a molecular weight of 371.48 g/mol. Its IUPAC name is N-ethyl-2-[5-fluoro-2-methyl-4-[(3-phenyl-1,2,4-thiadiazol-5-yl)oxy]phenyl]-N-methylethanamine.

Molecular Properties

Compound NameN-ethyl-2-[5-fluoro-2-methyl-4-[(3-phenyl-1,2,4-thiadiazol-5-yl)oxy]phenyl]-N-methylethanamine
PubChem CID71290610
Molecular FormulaC20H22FN3OS
Molecular Weight371.48 g/mol
Exact Mass371.15
IUPAC NameN-ethyl-2-[5-fluoro-2-methyl-4-[(3-phenyl-1,2,4-thiadiazol-5-yl)oxy]phenyl]-N-methylethanamine
SMILESCCN(C)CCc1cc(F)c(Oc2nc(-c3ccccc3)ns2)cc1C
InChIInChI=1S/C20H22FN3OS/c1-4-24(3)11-10-16-13-17(21)18(12-14(16)2)25-20-22-19(23-26-20)15-8-6-5-7-9-15/h5-9,12-13H,4,10-11H2,1-3H3
InChIKeyNDFNADWYIMXEMY-UHFFFAOYSA-N
XLogP4.94
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[5-fluoro-2-methyl-4-[(3-phenyl-1,2,4-thiadiazol-5-yl)oxy]phenyl]-N-methylethanamine?
The IUPAC name of N-ethyl-2-[5-fluoro-2-methyl-4-[(3-phenyl-1,2,4-thiadiazol-5-yl)oxy]phenyl]-N-methylethanamine (CID 71290610) is N-ethyl-2-[5-fluoro-2-methyl-4-[(3-phenyl-1,2,4-thiadiazol-5-yl)oxy]phenyl]-N-methylethanamine.
What is the SMILES notation for N-ethyl-2-[5-fluoro-2-methyl-4-[(3-phenyl-1,2,4-thiadiazol-5-yl)oxy]phenyl]-N-methylethanamine?
The canonical SMILES for N-ethyl-2-[5-fluoro-2-methyl-4-[(3-phenyl-1,2,4-thiadiazol-5-yl)oxy]phenyl]-N-methylethanamine is CCN(C)CCc1cc(F)c(Oc2nc(-c3ccccc3)ns2)cc1C.
What is the InChIKey of N-ethyl-2-[5-fluoro-2-methyl-4-[(3-phenyl-1,2,4-thiadiazol-5-yl)oxy]phenyl]-N-methylethanamine?
The InChIKey is NDFNADWYIMXEMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3OS/c1-4-24(3)11-10-16-13-17(21)18(12-14(16)2)25-20-22-19(23-26-20)15-8-6-5-7-9-15/h5-9,12-13H,4,10-11H2,1-3H3.
What are the key properties of N-ethyl-2-[5-fluoro-2-methyl-4-[(3-phenyl-1,2,4-thiadiazol-5-yl)oxy]phenyl]-N-methylethanamine?
N-ethyl-2-[5-fluoro-2-methyl-4-[(3-phenyl-1,2,4-thiadiazol-5-yl)oxy]phenyl]-N-methylethanamine has a molecular weight of 371.48 g/mol, XLogP of 4.94, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[5-fluoro-2-methyl-4-[(3-phenyl-1,2,4-thiadiazol-5-yl)oxy]phenyl]-N-methylethanamine is sourced from PubChem (CID 71290610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).