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

C16H22N4S — CID 45482707

IUPAC2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine
SMILESc1cnc2nc(N3CCC(N4CCCCC4)CC3)sc2c1
InChIInChI=1S/C16H22N4S/c1-2-9-19(10-3-1)13-6-11-20(12-7-13)16-18-15-14(21-16)5-4-8-17-15/h4-5,8,13H,1-3,6-7,9-12H2
InChIKeyLHPSMXXBNXLHOD-UHFFFAOYSA-N
MW302.45 g/mol
LogP3.15
Rot. Bonds2

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

2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine (PubChem CID 45482707) has the molecular formula C16H22N4S and a molecular weight of 302.45 g/mol. Its IUPAC name is 2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine
PubChem CID45482707
Molecular FormulaC16H22N4S
Molecular Weight302.45 g/mol
Exact Mass302.16
IUPAC Name2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine
SMILESc1cnc2nc(N3CCC(N4CCCCC4)CC3)sc2c1
InChIInChI=1S/C16H22N4S/c1-2-9-19(10-3-1)13-6-11-20(12-7-13)16-18-15-14(21-16)5-4-8-17-15/h4-5,8,13H,1-3,6-7,9-12H2
InChIKeyLHPSMXXBNXLHOD-UHFFFAOYSA-N
XLogP3.15
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.45
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine?
The IUPAC name of 2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine (CID 45482707) is 2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine.
What is the SMILES notation for 2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine?
The canonical SMILES for 2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine is c1cnc2nc(N3CCC(N4CCCCC4)CC3)sc2c1.
What is the InChIKey of 2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine?
The InChIKey is LHPSMXXBNXLHOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4S/c1-2-9-19(10-3-1)13-6-11-20(12-7-13)16-18-15-14(21-16)5-4-8-17-15/h4-5,8,13H,1-3,6-7,9-12H2.
What are the key properties of 2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine?
2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine has a molecular weight of 302.45 g/mol, XLogP of 3.15, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine is sourced from PubChem (CID 45482707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).