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

C20H24N4OS — CID 71290645

IUPAC2-[2,5-dimethyl-4-[(3-pyridin-2-yl-1,2,4-thiadiazol-5-yl)oxy]phenyl]-N-ethyl-N-methylethanamine
SMILESCCN(C)CCc1cc(C)c(Oc2nc(-c3ccccn3)ns2)cc1C
InChIInChI=1S/C20H24N4OS/c1-5-24(4)11-9-16-12-15(3)18(13-14(16)2)25-20-22-19(23-26-20)17-8-6-7-10-21-17/h6-8,10,12-13H,5,9,11H2,1-4H3
InChIKeyPPXDXCPCOWXNRP-UHFFFAOYSA-N
MW368.51 g/mol
LogP4.50
Rot. Bonds7

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

2-[2,5-dimethyl-4-[(3-pyridin-2-yl-1,2,4-thiadiazol-5-yl)oxy]phenyl]-N-ethyl-N-methylethanamine (PubChem CID 71290645) has the molecular formula C20H24N4OS and a molecular weight of 368.51 g/mol. Its IUPAC name is 2-[2,5-dimethyl-4-[(3-pyridin-2-yl-1,2,4-thiadiazol-5-yl)oxy]phenyl]-N-ethyl-N-methylethanamine.

Molecular Properties

Compound Name2-[2,5-dimethyl-4-[(3-pyridin-2-yl-1,2,4-thiadiazol-5-yl)oxy]phenyl]-N-ethyl-N-methylethanamine
PubChem CID71290645
Molecular FormulaC20H24N4OS
Molecular Weight368.51 g/mol
Exact Mass368.17
IUPAC Name2-[2,5-dimethyl-4-[(3-pyridin-2-yl-1,2,4-thiadiazol-5-yl)oxy]phenyl]-N-ethyl-N-methylethanamine
SMILESCCN(C)CCc1cc(C)c(Oc2nc(-c3ccccn3)ns2)cc1C
InChIInChI=1S/C20H24N4OS/c1-5-24(4)11-9-16-12-15(3)18(13-14(16)2)25-20-22-19(23-26-20)17-8-6-7-10-21-17/h6-8,10,12-13H,5,9,11H2,1-4H3
InChIKeyPPXDXCPCOWXNRP-UHFFFAOYSA-N
XLogP4.50
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.51
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2,5-dimethyl-4-[(3-pyridin-2-yl-1,2,4-thiadiazol-5-yl)oxy]phenyl]-N-ethyl-N-methylethanamine?
The IUPAC name of 2-[2,5-dimethyl-4-[(3-pyridin-2-yl-1,2,4-thiadiazol-5-yl)oxy]phenyl]-N-ethyl-N-methylethanamine (CID 71290645) is 2-[2,5-dimethyl-4-[(3-pyridin-2-yl-1,2,4-thiadiazol-5-yl)oxy]phenyl]-N-ethyl-N-methylethanamine.
What is the SMILES notation for 2-[2,5-dimethyl-4-[(3-pyridin-2-yl-1,2,4-thiadiazol-5-yl)oxy]phenyl]-N-ethyl-N-methylethanamine?
The canonical SMILES for 2-[2,5-dimethyl-4-[(3-pyridin-2-yl-1,2,4-thiadiazol-5-yl)oxy]phenyl]-N-ethyl-N-methylethanamine is CCN(C)CCc1cc(C)c(Oc2nc(-c3ccccn3)ns2)cc1C.
What is the InChIKey of 2-[2,5-dimethyl-4-[(3-pyridin-2-yl-1,2,4-thiadiazol-5-yl)oxy]phenyl]-N-ethyl-N-methylethanamine?
The InChIKey is PPXDXCPCOWXNRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4OS/c1-5-24(4)11-9-16-12-15(3)18(13-14(16)2)25-20-22-19(23-26-20)17-8-6-7-10-21-17/h6-8,10,12-13H,5,9,11H2,1-4H3.
What are the key properties of 2-[2,5-dimethyl-4-[(3-pyridin-2-yl-1,2,4-thiadiazol-5-yl)oxy]phenyl]-N-ethyl-N-methylethanamine?
2-[2,5-dimethyl-4-[(3-pyridin-2-yl-1,2,4-thiadiazol-5-yl)oxy]phenyl]-N-ethyl-N-methylethanamine has a molecular weight of 368.51 g/mol, XLogP of 4.50, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,5-dimethyl-4-[(3-pyridin-2-yl-1,2,4-thiadiazol-5-yl)oxy]phenyl]-N-ethyl-N-methylethanamine is sourced from PubChem (CID 71290645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).