2-[4-[(4-fluoropiperidin-1-yl)methyl]phenoxy]-[1,3]thiazolo[4,5-b]pyridine

C18H18FN3OS — CID 57448360

IUPAC2-[4-[(4-fluoropiperidin-1-yl)methyl]phenoxy]-[1,3]thiazolo[4,5-b]pyridine
SMILESFC1CCN(Cc2ccc(Oc3nc4ncccc4s3)cc2)CC1
InChIInChI=1S/C18H18FN3OS/c19-14-7-10-22(11-8-14)12-13-3-5-15(6-4-13)23-18-21-17-16(24-18)2-1-9-20-17/h1-6,9,14H,7-8,10-12H2
InChIKeyYRYIAXMFIRWUAS-UHFFFAOYSA-N
MW343.43 g/mol
LogP4.42
Rot. Bonds4

About 2-[4-[(4-fluoropiperidin-1-yl)methyl]phenoxy]-[1,3]thiazolo[4,5-b]pyridine

2-[4-[(4-fluoropiperidin-1-yl)methyl]phenoxy]-[1,3]thiazolo[4,5-b]pyridine (PubChem CID 57448360) has the molecular formula C18H18FN3OS and a molecular weight of 343.43 g/mol. Its IUPAC name is 2-[4-[(4-fluoropiperidin-1-yl)methyl]phenoxy]-[1,3]thiazolo[4,5-b]pyridine.

Molecular Properties

Compound Name2-[4-[(4-fluoropiperidin-1-yl)methyl]phenoxy]-[1,3]thiazolo[4,5-b]pyridine
PubChem CID57448360
Molecular FormulaC18H18FN3OS
Molecular Weight343.43 g/mol
Exact Mass343.12
IUPAC Name2-[4-[(4-fluoropiperidin-1-yl)methyl]phenoxy]-[1,3]thiazolo[4,5-b]pyridine
SMILESFC1CCN(Cc2ccc(Oc3nc4ncccc4s3)cc2)CC1
InChIInChI=1S/C18H18FN3OS/c19-14-7-10-22(11-8-14)12-13-3-5-15(6-4-13)23-18-21-17-16(24-18)2-1-9-20-17/h1-6,9,14H,7-8,10-12H2
InChIKeyYRYIAXMFIRWUAS-UHFFFAOYSA-N
XLogP4.42
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 54.42
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
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
2-(1,4''-Bipiperidin-1''-yl)-6-(6-methoxypyridin-3-yl)thiazolo[4,5-b]pyridine
CID 45482775
1-[1-[2-[4-([1,3]Thiazolo[4,5-b]pyridin-2-yloxy)phenyl]ethyl]piperidin-4-yl]pyrrolidin-2-one
CID 57448276
1-[2-[4-([1,3]Thiazolo[4,5-b]pyridin-2-yloxy)phenyl]ethyl]piperidine-4-carboxamide
CID 57448281

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-fluoropiperidin-1-yl)methyl]phenoxy]-[1,3]thiazolo[4,5-b]pyridine?
The IUPAC name of 2-[4-[(4-fluoropiperidin-1-yl)methyl]phenoxy]-[1,3]thiazolo[4,5-b]pyridine (CID 57448360) is 2-[4-[(4-fluoropiperidin-1-yl)methyl]phenoxy]-[1,3]thiazolo[4,5-b]pyridine.
What is the SMILES notation for 2-[4-[(4-fluoropiperidin-1-yl)methyl]phenoxy]-[1,3]thiazolo[4,5-b]pyridine?
The canonical SMILES for 2-[4-[(4-fluoropiperidin-1-yl)methyl]phenoxy]-[1,3]thiazolo[4,5-b]pyridine is FC1CCN(Cc2ccc(Oc3nc4ncccc4s3)cc2)CC1.
What is the InChIKey of 2-[4-[(4-fluoropiperidin-1-yl)methyl]phenoxy]-[1,3]thiazolo[4,5-b]pyridine?
The InChIKey is YRYIAXMFIRWUAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3OS/c19-14-7-10-22(11-8-14)12-13-3-5-15(6-4-13)23-18-21-17-16(24-18)2-1-9-20-17/h1-6,9,14H,7-8,10-12H2.
What are the key properties of 2-[4-[(4-fluoropiperidin-1-yl)methyl]phenoxy]-[1,3]thiazolo[4,5-b]pyridine?
2-[4-[(4-fluoropiperidin-1-yl)methyl]phenoxy]-[1,3]thiazolo[4,5-b]pyridine has a molecular weight of 343.43 g/mol, XLogP of 4.42, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-fluoropiperidin-1-yl)methyl]phenoxy]-[1,3]thiazolo[4,5-b]pyridine is sourced from PubChem (CID 57448360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).