2-phenyl-5-piperidin-1-yl-[1,3]thiazolo[5,4-b]pyridine

C17H17N3S — CID 71256323

IUPAC2-phenyl-5-piperidin-1-yl-[1,3]thiazolo[5,4-b]pyridine
SMILESc1ccc(-c2nc3ccc(N4CCCCC4)nc3s2)cc1
InChIInChI=1S/C17H17N3S/c1-3-7-13(8-4-1)16-18-14-9-10-15(19-17(14)21-16)20-11-5-2-6-12-20/h1,3-4,7-10H,2,5-6,11-12H2
InChIKeyAJJXTQAQJGUWOZ-UHFFFAOYSA-N
MW295.41 g/mol
LogP4.35
Rot. Bonds2

About 2-phenyl-5-piperidin-1-yl-[1,3]thiazolo[5,4-b]pyridine

2-phenyl-5-piperidin-1-yl-[1,3]thiazolo[5,4-b]pyridine (PubChem CID 71256323) has the molecular formula C17H17N3S and a molecular weight of 295.41 g/mol. Its IUPAC name is 2-phenyl-5-piperidin-1-yl-[1,3]thiazolo[5,4-b]pyridine.

Molecular Properties

Compound Name2-phenyl-5-piperidin-1-yl-[1,3]thiazolo[5,4-b]pyridine
PubChem CID71256323
Molecular FormulaC17H17N3S
Molecular Weight295.41 g/mol
Exact Mass295.11
IUPAC Name2-phenyl-5-piperidin-1-yl-[1,3]thiazolo[5,4-b]pyridine
SMILESc1ccc(-c2nc3ccc(N4CCCCC4)nc3s2)cc1
InChIInChI=1S/C17H17N3S/c1-3-7-13(8-4-1)16-18-14-9-10-15(19-17(14)21-16)20-11-5-2-6-12-20/h1,3-4,7-10H,2,5-6,11-12H2
InChIKeyAJJXTQAQJGUWOZ-UHFFFAOYSA-N
XLogP4.35
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-5-piperidin-1-yl-[1,3]thiazolo[5,4-b]pyridine?
The IUPAC name of 2-phenyl-5-piperidin-1-yl-[1,3]thiazolo[5,4-b]pyridine (CID 71256323) is 2-phenyl-5-piperidin-1-yl-[1,3]thiazolo[5,4-b]pyridine.
What is the SMILES notation for 2-phenyl-5-piperidin-1-yl-[1,3]thiazolo[5,4-b]pyridine?
The canonical SMILES for 2-phenyl-5-piperidin-1-yl-[1,3]thiazolo[5,4-b]pyridine is c1ccc(-c2nc3ccc(N4CCCCC4)nc3s2)cc1.
What is the InChIKey of 2-phenyl-5-piperidin-1-yl-[1,3]thiazolo[5,4-b]pyridine?
The InChIKey is AJJXTQAQJGUWOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3S/c1-3-7-13(8-4-1)16-18-14-9-10-15(19-17(14)21-16)20-11-5-2-6-12-20/h1,3-4,7-10H,2,5-6,11-12H2.
What are the key properties of 2-phenyl-5-piperidin-1-yl-[1,3]thiazolo[5,4-b]pyridine?
2-phenyl-5-piperidin-1-yl-[1,3]thiazolo[5,4-b]pyridine has a molecular weight of 295.41 g/mol, XLogP of 4.35, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-5-piperidin-1-yl-[1,3]thiazolo[5,4-b]pyridine is sourced from PubChem (CID 71256323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).