2-(4-piperidin-1-ylpiperidin-1-yl)-6-pyrimidin-5-yl-[1,3]thiazolo[4,5-b]pyridine

C20H24N6S — CID 45482745

IUPAC2-(4-piperidin-1-ylpiperidin-1-yl)-6-pyrimidin-5-yl-[1,3]thiazolo[4,5-b]pyridine
SMILESc1ncc(-c2cnc3nc(N4CCC(N5CCCCC5)CC4)sc3c2)cn1
InChIInChI=1S/C20H24N6S/c1-2-6-25(7-3-1)17-4-8-26(9-5-17)20-24-19-18(27-20)10-15(13-23-19)16-11-21-14-22-12-16/h10-14,17H,1-9H2
InChIKeyWVXYZXRHQOUJJQ-UHFFFAOYSA-N
MW380.52 g/mol
LogP3.60
Rot. Bonds3

About 2-(4-piperidin-1-ylpiperidin-1-yl)-6-pyrimidin-5-yl-[1,3]thiazolo[4,5-b]pyridine

2-(4-piperidin-1-ylpiperidin-1-yl)-6-pyrimidin-5-yl-[1,3]thiazolo[4,5-b]pyridine (PubChem CID 45482745) has the molecular formula C20H24N6S and a molecular weight of 380.52 g/mol. Its IUPAC name is 2-(4-piperidin-1-ylpiperidin-1-yl)-6-pyrimidin-5-yl-[1,3]thiazolo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(4-piperidin-1-ylpiperidin-1-yl)-6-pyrimidin-5-yl-[1,3]thiazolo[4,5-b]pyridine
PubChem CID45482745
Molecular FormulaC20H24N6S
Molecular Weight380.52 g/mol
Exact Mass380.18
IUPAC Name2-(4-piperidin-1-ylpiperidin-1-yl)-6-pyrimidin-5-yl-[1,3]thiazolo[4,5-b]pyridine
SMILESc1ncc(-c2cnc3nc(N4CCC(N5CCCCC5)CC4)sc3c2)cn1
InChIInChI=1S/C20H24N6S/c1-2-6-25(7-3-1)17-4-8-26(9-5-17)20-24-19-18(27-20)10-15(13-23-19)16-11-21-14-22-12-16/h10-14,17H,1-9H2
InChIKeyWVXYZXRHQOUJJQ-UHFFFAOYSA-N
XLogP3.60
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.52
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(4-piperidin-1-ylpiperidin-1-yl)-6-pyrimidin-5-yl-[1,3]thiazolo[4,5-b]pyridine?
The IUPAC name of 2-(4-piperidin-1-ylpiperidin-1-yl)-6-pyrimidin-5-yl-[1,3]thiazolo[4,5-b]pyridine (CID 45482745) is 2-(4-piperidin-1-ylpiperidin-1-yl)-6-pyrimidin-5-yl-[1,3]thiazolo[4,5-b]pyridine.
What is the SMILES notation for 2-(4-piperidin-1-ylpiperidin-1-yl)-6-pyrimidin-5-yl-[1,3]thiazolo[4,5-b]pyridine?
The canonical SMILES for 2-(4-piperidin-1-ylpiperidin-1-yl)-6-pyrimidin-5-yl-[1,3]thiazolo[4,5-b]pyridine is c1ncc(-c2cnc3nc(N4CCC(N5CCCCC5)CC4)sc3c2)cn1.
What is the InChIKey of 2-(4-piperidin-1-ylpiperidin-1-yl)-6-pyrimidin-5-yl-[1,3]thiazolo[4,5-b]pyridine?
The InChIKey is WVXYZXRHQOUJJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6S/c1-2-6-25(7-3-1)17-4-8-26(9-5-17)20-24-19-18(27-20)10-15(13-23-19)16-11-21-14-22-12-16/h10-14,17H,1-9H2.
What are the key properties of 2-(4-piperidin-1-ylpiperidin-1-yl)-6-pyrimidin-5-yl-[1,3]thiazolo[4,5-b]pyridine?
2-(4-piperidin-1-ylpiperidin-1-yl)-6-pyrimidin-5-yl-[1,3]thiazolo[4,5-b]pyridine has a molecular weight of 380.52 g/mol, XLogP of 3.60, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-piperidin-1-ylpiperidin-1-yl)-6-pyrimidin-5-yl-[1,3]thiazolo[4,5-b]pyridine is sourced from PubChem (CID 45482745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).