4-[[4-[(2-pyridin-4-yl-3-pyridinyl)oxy]piperidin-1-yl]methyl]-1,3-thiazole

C19H20N4OS — CID 118675977

IUPAC4-[[4-[(2-pyridin-4-yl-3-pyridinyl)oxy]piperidin-1-yl]methyl]-1,3-thiazole
SMILESc1cnc(-c2ccncc2)c(OC2CCN(Cc3cscn3)CC2)c1
InChIInChI=1S/C19H20N4OS/c1-2-18(19(21-7-1)15-3-8-20-9-4-15)24-17-5-10-23(11-6-17)12-16-13-25-14-22-16/h1-4,7-9,13-14,17H,5-6,10-12H2
InChIKeyWFBILCZZCZTBHJ-UHFFFAOYSA-N
MW352.46 g/mol
LogP3.64
Rot. Bonds5

About 4-[[4-[(2-pyridin-4-yl-3-pyridinyl)oxy]piperidin-1-yl]methyl]-1,3-thiazole

4-[[4-[(2-pyridin-4-yl-3-pyridinyl)oxy]piperidin-1-yl]methyl]-1,3-thiazole (PubChem CID 118675977) has the molecular formula C19H20N4OS and a molecular weight of 352.46 g/mol. Its IUPAC name is 4-[[4-[(2-pyridin-4-yl-3-pyridinyl)oxy]piperidin-1-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name4-[[4-[(2-pyridin-4-yl-3-pyridinyl)oxy]piperidin-1-yl]methyl]-1,3-thiazole
PubChem CID118675977
Molecular FormulaC19H20N4OS
Molecular Weight352.46 g/mol
Exact Mass352.14
IUPAC Name4-[[4-[(2-pyridin-4-yl-3-pyridinyl)oxy]piperidin-1-yl]methyl]-1,3-thiazole
SMILESc1cnc(-c2ccncc2)c(OC2CCN(Cc3cscn3)CC2)c1
InChIInChI=1S/C19H20N4OS/c1-2-18(19(21-7-1)15-3-8-20-9-4-15)24-17-5-10-23(11-6-17)12-16-13-25-14-22-16/h1-4,7-9,13-14,17H,5-6,10-12H2
InChIKeyWFBILCZZCZTBHJ-UHFFFAOYSA-N
XLogP3.64
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-[(2-pyridin-4-yl-3-pyridinyl)oxy]piperidin-1-yl]methyl]-1,3-thiazole?
The IUPAC name of 4-[[4-[(2-pyridin-4-yl-3-pyridinyl)oxy]piperidin-1-yl]methyl]-1,3-thiazole (CID 118675977) is 4-[[4-[(2-pyridin-4-yl-3-pyridinyl)oxy]piperidin-1-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 4-[[4-[(2-pyridin-4-yl-3-pyridinyl)oxy]piperidin-1-yl]methyl]-1,3-thiazole?
The canonical SMILES for 4-[[4-[(2-pyridin-4-yl-3-pyridinyl)oxy]piperidin-1-yl]methyl]-1,3-thiazole is c1cnc(-c2ccncc2)c(OC2CCN(Cc3cscn3)CC2)c1.
What is the InChIKey of 4-[[4-[(2-pyridin-4-yl-3-pyridinyl)oxy]piperidin-1-yl]methyl]-1,3-thiazole?
The InChIKey is WFBILCZZCZTBHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4OS/c1-2-18(19(21-7-1)15-3-8-20-9-4-15)24-17-5-10-23(11-6-17)12-16-13-25-14-22-16/h1-4,7-9,13-14,17H,5-6,10-12H2.
What are the key properties of 4-[[4-[(2-pyridin-4-yl-3-pyridinyl)oxy]piperidin-1-yl]methyl]-1,3-thiazole?
4-[[4-[(2-pyridin-4-yl-3-pyridinyl)oxy]piperidin-1-yl]methyl]-1,3-thiazole has a molecular weight of 352.46 g/mol, XLogP of 3.64, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[(2-pyridin-4-yl-3-pyridinyl)oxy]piperidin-1-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 118675977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).