2-[4-(2-piperidin-1-ylethyl)phenoxy]-[1,3]thiazolo[4,5-b]pyridine

C19H21N3OS — CID 57448356

IUPAC2-[4-(2-piperidin-1-ylethyl)phenoxy]-[1,3]thiazolo[4,5-b]pyridine
SMILESc1cnc2nc(Oc3ccc(CCN4CCCCC4)cc3)sc2c1
InChIInChI=1S/C19H21N3OS/c1-2-12-22(13-3-1)14-10-15-6-8-16(9-7-15)23-19-21-18-17(24-19)5-4-11-20-18/h4-9,11H,1-3,10,12-14H2
InChIKeyGCTOKCRXXUDFIY-UHFFFAOYSA-N
MW339.46 g/mol
LogP4.51
Rot. Bonds5

About 2-[4-(2-piperidin-1-ylethyl)phenoxy]-[1,3]thiazolo[4,5-b]pyridine

2-[4-(2-piperidin-1-ylethyl)phenoxy]-[1,3]thiazolo[4,5-b]pyridine (PubChem CID 57448356) has the molecular formula C19H21N3OS and a molecular weight of 339.46 g/mol. Its IUPAC name is 2-[4-(2-piperidin-1-ylethyl)phenoxy]-[1,3]thiazolo[4,5-b]pyridine.

Molecular Properties

Compound Name2-[4-(2-piperidin-1-ylethyl)phenoxy]-[1,3]thiazolo[4,5-b]pyridine
PubChem CID57448356
Molecular FormulaC19H21N3OS
Molecular Weight339.46 g/mol
Exact Mass339.14
IUPAC Name2-[4-(2-piperidin-1-ylethyl)phenoxy]-[1,3]thiazolo[4,5-b]pyridine
SMILESc1cnc2nc(Oc3ccc(CCN4CCCCC4)cc3)sc2c1
InChIInChI=1S/C19H21N3OS/c1-2-12-22(13-3-1)14-10-15-6-8-16(9-7-15)23-19-21-18-17(24-19)5-4-11-20-18/h4-9,11H,1-3,10,12-14H2
InChIKeyGCTOKCRXXUDFIY-UHFFFAOYSA-N
XLogP4.51
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Acetamide, N-((3-endo)-8-((4-(thiazolo(4,5-b)pyridin-2-yloxy)phenyl)methyl)-8-azabicyclo(3.2.1)oct-3-yl)-
CID 57910975
N-[8-[2-[4-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)phenyl]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]acetamide
CID 71456055
N-[8-[[4-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)phenyl]methyl]-8-azabicyclo[3.2.1]octan-3-yl]acetamide
CID 71457850
N-(2-aminoethyl)-4-(4-methoxyphenyl)-12-methyl-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-amine
CID 25093437
1-[2-[[4-([1,3]Thiazolo[4,5-b]pyridin-2-yloxy)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]ethanone
CID 44479549
7-Methyl-2-[4-(piperidin-1-ylmethyl)phenoxy]-[1,3]thiazolo[4,5-b]pyridine
CID 44481057
2-[4-(Piperidin-1-ylmethyl)phenoxy]-[1,3]thiazolo[4,5-b]pyridine
CID 44481856
1-[1-[[4-([1,3]Thiazolo[4,5-b]pyridin-2-yloxy)phenyl]methyl]piperidin-4-yl]pyrrolidin-2-one
CID 44481857
2-(1,4''-Bipiperidin-1''-yl)-6-(2-methoxypyridin-4-yl)thiazolo[4,5-b]pyridine
CID 45482679
2-(1,4''-Bipiperidin-1''-yl)-6-(3-methoxyphenyl)thiazolo[4,5-b]pyridine
CID 45482743
4-(2-(1,4''-Bipiperidin-1''-yl)thiazolo[4,5-b]pyridin-6-yl)phenol
CID 45482744
2-(1,4''-Bipiperidin-1''-yl)-6-(6-methoxypyridin-3-yl)thiazolo[4,5-b]pyridine
CID 45482775

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-piperidin-1-ylethyl)phenoxy]-[1,3]thiazolo[4,5-b]pyridine?
The IUPAC name of 2-[4-(2-piperidin-1-ylethyl)phenoxy]-[1,3]thiazolo[4,5-b]pyridine (CID 57448356) is 2-[4-(2-piperidin-1-ylethyl)phenoxy]-[1,3]thiazolo[4,5-b]pyridine.
What is the SMILES notation for 2-[4-(2-piperidin-1-ylethyl)phenoxy]-[1,3]thiazolo[4,5-b]pyridine?
The canonical SMILES for 2-[4-(2-piperidin-1-ylethyl)phenoxy]-[1,3]thiazolo[4,5-b]pyridine is c1cnc2nc(Oc3ccc(CCN4CCCCC4)cc3)sc2c1.
What is the InChIKey of 2-[4-(2-piperidin-1-ylethyl)phenoxy]-[1,3]thiazolo[4,5-b]pyridine?
The InChIKey is GCTOKCRXXUDFIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3OS/c1-2-12-22(13-3-1)14-10-15-6-8-16(9-7-15)23-19-21-18-17(24-19)5-4-11-20-18/h4-9,11H,1-3,10,12-14H2.
What are the key properties of 2-[4-(2-piperidin-1-ylethyl)phenoxy]-[1,3]thiazolo[4,5-b]pyridine?
2-[4-(2-piperidin-1-ylethyl)phenoxy]-[1,3]thiazolo[4,5-b]pyridine has a molecular weight of 339.46 g/mol, XLogP of 4.51, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-piperidin-1-ylethyl)phenoxy]-[1,3]thiazolo[4,5-b]pyridine is sourced from PubChem (CID 57448356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).