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

C18H18FN3OS — CID 57448289

IUPAC6-fluoro-2-[4-(piperidin-1-ylmethyl)phenoxy]-[1,3]thiazolo[4,5-b]pyridine
SMILESFc1cnc2nc(Oc3ccc(CN4CCCCC4)cc3)sc2c1
InChIInChI=1S/C18H18FN3OS/c19-14-10-16-17(20-11-14)21-18(24-16)23-15-6-4-13(5-7-15)12-22-8-2-1-3-9-22/h4-7,10-11H,1-3,8-9,12H2
InChIKeyFJZDAINBGFEFNG-UHFFFAOYSA-N
MW343.43 g/mol
LogP4.61
Rot. Bonds4

About 6-fluoro-2-[4-(piperidin-1-ylmethyl)phenoxy]-[1,3]thiazolo[4,5-b]pyridine

6-fluoro-2-[4-(piperidin-1-ylmethyl)phenoxy]-[1,3]thiazolo[4,5-b]pyridine (PubChem CID 57448289) has the molecular formula C18H18FN3OS and a molecular weight of 343.43 g/mol. Its IUPAC name is 6-fluoro-2-[4-(piperidin-1-ylmethyl)phenoxy]-[1,3]thiazolo[4,5-b]pyridine.

Molecular Properties

Compound Name6-fluoro-2-[4-(piperidin-1-ylmethyl)phenoxy]-[1,3]thiazolo[4,5-b]pyridine
PubChem CID57448289
Molecular FormulaC18H18FN3OS
Molecular Weight343.43 g/mol
Exact Mass343.12
IUPAC Name6-fluoro-2-[4-(piperidin-1-ylmethyl)phenoxy]-[1,3]thiazolo[4,5-b]pyridine
SMILESFc1cnc2nc(Oc3ccc(CN4CCCCC4)cc3)sc2c1
InChIInChI=1S/C18H18FN3OS/c19-14-10-16-17(20-11-14)21-18(24-16)23-15-6-4-13(5-7-15)12-22-8-2-1-3-9-22/h4-7,10-11H,1-3,8-9,12H2
InChIKeyFJZDAINBGFEFNG-UHFFFAOYSA-N
XLogP4.61
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 ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-[4-(piperidin-1-ylmethyl)phenoxy]-[1,3]thiazolo[4,5-b]pyridine?
The IUPAC name of 6-fluoro-2-[4-(piperidin-1-ylmethyl)phenoxy]-[1,3]thiazolo[4,5-b]pyridine (CID 57448289) is 6-fluoro-2-[4-(piperidin-1-ylmethyl)phenoxy]-[1,3]thiazolo[4,5-b]pyridine.
What is the SMILES notation for 6-fluoro-2-[4-(piperidin-1-ylmethyl)phenoxy]-[1,3]thiazolo[4,5-b]pyridine?
The canonical SMILES for 6-fluoro-2-[4-(piperidin-1-ylmethyl)phenoxy]-[1,3]thiazolo[4,5-b]pyridine is Fc1cnc2nc(Oc3ccc(CN4CCCCC4)cc3)sc2c1.
What is the InChIKey of 6-fluoro-2-[4-(piperidin-1-ylmethyl)phenoxy]-[1,3]thiazolo[4,5-b]pyridine?
The InChIKey is FJZDAINBGFEFNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3OS/c19-14-10-16-17(20-11-14)21-18(24-16)23-15-6-4-13(5-7-15)12-22-8-2-1-3-9-22/h4-7,10-11H,1-3,8-9,12H2.
What are the key properties of 6-fluoro-2-[4-(piperidin-1-ylmethyl)phenoxy]-[1,3]thiazolo[4,5-b]pyridine?
6-fluoro-2-[4-(piperidin-1-ylmethyl)phenoxy]-[1,3]thiazolo[4,5-b]pyridine has a molecular weight of 343.43 g/mol, XLogP of 4.61, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-[4-(piperidin-1-ylmethyl)phenoxy]-[1,3]thiazolo[4,5-b]pyridine is sourced from PubChem (CID 57448289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).