2-[4-[2-(4-pyridin-4-ylpiperidin-1-yl)ethoxy]phenoxy]-[1,3]thiazolo[5,4-b]pyridine

C24H24N4O2S — CID 57448319

IUPAC2-[4-[2-(4-pyridin-4-ylpiperidin-1-yl)ethoxy]phenoxy]-[1,3]thiazolo[5,4-b]pyridine
SMILESc1cnc2sc(Oc3ccc(OCCN4CCC(c5ccncc5)CC4)cc3)nc2c1
InChIInChI=1S/C24H24N4O2S/c1-2-22-23(26-11-1)31-24(27-22)30-21-5-3-20(4-6-21)29-17-16-28-14-9-19(10-15-28)18-7-12-25-13-8-18/h1-8,11-13,19H,9-10,14-17H2
InChIKeyLLVXMGVVQNVHAD-UHFFFAOYSA-N
MW432.55 g/mol
LogP5.14
Rot. Bonds7

About 2-[4-[2-(4-pyridin-4-ylpiperidin-1-yl)ethoxy]phenoxy]-[1,3]thiazolo[5,4-b]pyridine

2-[4-[2-(4-pyridin-4-ylpiperidin-1-yl)ethoxy]phenoxy]-[1,3]thiazolo[5,4-b]pyridine (PubChem CID 57448319) has the molecular formula C24H24N4O2S and a molecular weight of 432.55 g/mol. Its IUPAC name is 2-[4-[2-(4-pyridin-4-ylpiperidin-1-yl)ethoxy]phenoxy]-[1,3]thiazolo[5,4-b]pyridine.

Molecular Properties

Compound Name2-[4-[2-(4-pyridin-4-ylpiperidin-1-yl)ethoxy]phenoxy]-[1,3]thiazolo[5,4-b]pyridine
PubChem CID57448319
Molecular FormulaC24H24N4O2S
Molecular Weight432.55 g/mol
Exact Mass432.16
IUPAC Name2-[4-[2-(4-pyridin-4-ylpiperidin-1-yl)ethoxy]phenoxy]-[1,3]thiazolo[5,4-b]pyridine
SMILESc1cnc2sc(Oc3ccc(OCCN4CCC(c5ccncc5)CC4)cc3)nc2c1
InChIInChI=1S/C24H24N4O2S/c1-2-22-23(26-11-1)31-24(27-22)30-21-5-3-20(4-6-21)29-17-16-28-14-9-19(10-15-28)18-7-12-25-13-8-18/h1-8,11-13,19H,9-10,14-17H2
InChIKeyLLVXMGVVQNVHAD-UHFFFAOYSA-N
XLogP5.14
TPSA60.37 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.55
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(4-pyridin-4-ylpiperidin-1-yl)ethoxy]phenoxy]-[1,3]thiazolo[5,4-b]pyridine?
The IUPAC name of 2-[4-[2-(4-pyridin-4-ylpiperidin-1-yl)ethoxy]phenoxy]-[1,3]thiazolo[5,4-b]pyridine (CID 57448319) is 2-[4-[2-(4-pyridin-4-ylpiperidin-1-yl)ethoxy]phenoxy]-[1,3]thiazolo[5,4-b]pyridine.
What is the SMILES notation for 2-[4-[2-(4-pyridin-4-ylpiperidin-1-yl)ethoxy]phenoxy]-[1,3]thiazolo[5,4-b]pyridine?
The canonical SMILES for 2-[4-[2-(4-pyridin-4-ylpiperidin-1-yl)ethoxy]phenoxy]-[1,3]thiazolo[5,4-b]pyridine is c1cnc2sc(Oc3ccc(OCCN4CCC(c5ccncc5)CC4)cc3)nc2c1.
What is the InChIKey of 2-[4-[2-(4-pyridin-4-ylpiperidin-1-yl)ethoxy]phenoxy]-[1,3]thiazolo[5,4-b]pyridine?
The InChIKey is LLVXMGVVQNVHAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O2S/c1-2-22-23(26-11-1)31-24(27-22)30-21-5-3-20(4-6-21)29-17-16-28-14-9-19(10-15-28)18-7-12-25-13-8-18/h1-8,11-13,19H,9-10,14-17H2.
What are the key properties of 2-[4-[2-(4-pyridin-4-ylpiperidin-1-yl)ethoxy]phenoxy]-[1,3]thiazolo[5,4-b]pyridine?
2-[4-[2-(4-pyridin-4-ylpiperidin-1-yl)ethoxy]phenoxy]-[1,3]thiazolo[5,4-b]pyridine has a molecular weight of 432.55 g/mol, XLogP of 5.14, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(4-pyridin-4-ylpiperidin-1-yl)ethoxy]phenoxy]-[1,3]thiazolo[5,4-b]pyridine is sourced from PubChem (CID 57448319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).