2-(4-fluorophenyl)-5-piperidin-1-yl-[1,3]thiazolo[5,4-b]pyridine

C17H16FN3S — CID 73346098

IUPAC2-(4-fluorophenyl)-5-piperidin-1-yl-[1,3]thiazolo[5,4-b]pyridine
SMILESFc1ccc(-c2nc3ccc(N4CCCCC4)nc3s2)cc1
InChIInChI=1S/C17H16FN3S/c18-13-6-4-12(5-7-13)16-19-14-8-9-15(20-17(14)22-16)21-10-2-1-3-11-21/h4-9H,1-3,10-11H2
InChIKeyFJFRQSBXDHEJLC-UHFFFAOYSA-N
MW313.40 g/mol
LogP4.49
Rot. Bonds2

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

2-(4-fluorophenyl)-5-piperidin-1-yl-[1,3]thiazolo[5,4-b]pyridine (PubChem CID 73346098) has the molecular formula C17H16FN3S and a molecular weight of 313.40 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-5-piperidin-1-yl-[1,3]thiazolo[5,4-b]pyridine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-5-piperidin-1-yl-[1,3]thiazolo[5,4-b]pyridine
PubChem CID73346098
Molecular FormulaC17H16FN3S
Molecular Weight313.40 g/mol
Exact Mass313.10
IUPAC Name2-(4-fluorophenyl)-5-piperidin-1-yl-[1,3]thiazolo[5,4-b]pyridine
SMILESFc1ccc(-c2nc3ccc(N4CCCCC4)nc3s2)cc1
InChIInChI=1S/C17H16FN3S/c18-13-6-4-12(5-7-13)16-19-14-8-9-15(20-17(14)22-16)21-10-2-1-3-11-21/h4-9H,1-3,10-11H2
InChIKeyFJFRQSBXDHEJLC-UHFFFAOYSA-N
XLogP4.49
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-5-piperidin-1-yl-[1,3]thiazolo[5,4-b]pyridine?
The IUPAC name of 2-(4-fluorophenyl)-5-piperidin-1-yl-[1,3]thiazolo[5,4-b]pyridine (CID 73346098) is 2-(4-fluorophenyl)-5-piperidin-1-yl-[1,3]thiazolo[5,4-b]pyridine.
What is the SMILES notation for 2-(4-fluorophenyl)-5-piperidin-1-yl-[1,3]thiazolo[5,4-b]pyridine?
The canonical SMILES for 2-(4-fluorophenyl)-5-piperidin-1-yl-[1,3]thiazolo[5,4-b]pyridine is Fc1ccc(-c2nc3ccc(N4CCCCC4)nc3s2)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-5-piperidin-1-yl-[1,3]thiazolo[5,4-b]pyridine?
The InChIKey is FJFRQSBXDHEJLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3S/c18-13-6-4-12(5-7-13)16-19-14-8-9-15(20-17(14)22-16)21-10-2-1-3-11-21/h4-9H,1-3,10-11H2.
What are the key properties of 2-(4-fluorophenyl)-5-piperidin-1-yl-[1,3]thiazolo[5,4-b]pyridine?
2-(4-fluorophenyl)-5-piperidin-1-yl-[1,3]thiazolo[5,4-b]pyridine has a molecular weight of 313.40 g/mol, XLogP of 4.49, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-5-piperidin-1-yl-[1,3]thiazolo[5,4-b]pyridine is sourced from PubChem (CID 73346098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).