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

C21H26N6S — CID 45482705

IUPAC5-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]pyridin-2-amine
SMILESNc1ccc(-c2cnc3nc(N4CCC(N5CCCCC5)CC4)sc3c2)cn1
InChIInChI=1S/C21H26N6S/c22-19-5-4-15(13-23-19)16-12-18-20(24-14-16)25-21(28-18)27-10-6-17(7-11-27)26-8-2-1-3-9-26/h4-5,12-14,17H,1-3,6-11H2,(H2,22,23)
InChIKeyLKQAEEFKVPULTI-UHFFFAOYSA-N
MW394.55 g/mol
LogP3.79
Rot. Bonds3

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

5-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]pyridin-2-amine (PubChem CID 45482705) has the molecular formula C21H26N6S and a molecular weight of 394.55 g/mol. Its IUPAC name is 5-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]pyridin-2-amine.

Molecular Properties

Compound Name5-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]pyridin-2-amine
PubChem CID45482705
Molecular FormulaC21H26N6S
Molecular Weight394.55 g/mol
Exact Mass394.19
IUPAC Name5-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]pyridin-2-amine
SMILESNc1ccc(-c2cnc3nc(N4CCC(N5CCCCC5)CC4)sc3c2)cn1
InChIInChI=1S/C21H26N6S/c22-19-5-4-15(13-23-19)16-12-18-20(24-14-16)25-21(28-18)27-10-6-17(7-11-27)26-8-2-1-3-9-26/h4-5,12-14,17H,1-3,6-11H2,(H2,22,23)
InChIKeyLKQAEEFKVPULTI-UHFFFAOYSA-N
XLogP3.79
TPSA71.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.55
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]pyridin-2-amine?
The IUPAC name of 5-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]pyridin-2-amine (CID 45482705) is 5-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]pyridin-2-amine.
What is the SMILES notation for 5-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]pyridin-2-amine?
The canonical SMILES for 5-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]pyridin-2-amine is Nc1ccc(-c2cnc3nc(N4CCC(N5CCCCC5)CC4)sc3c2)cn1.
What is the InChIKey of 5-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]pyridin-2-amine?
The InChIKey is LKQAEEFKVPULTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6S/c22-19-5-4-15(13-23-19)16-12-18-20(24-14-16)25-21(28-18)27-10-6-17(7-11-27)26-8-2-1-3-9-26/h4-5,12-14,17H,1-3,6-11H2,(H2,22,23).
What are the key properties of 5-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]pyridin-2-amine?
5-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]pyridin-2-amine has a molecular weight of 394.55 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]pyridin-2-amine is sourced from PubChem (CID 45482705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).