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

C22H28N6S — CID 46244098

IUPAC6-methyl-5-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-yl]pyridin-2-amine
SMILESCc1nc(N)ccc1-c1cc2sc(N3CCC(N4CCCCC4)CC3)nc2cn1
InChIInChI=1S/C22H28N6S/c1-15-17(5-6-21(23)25-15)18-13-20-19(14-24-18)26-22(29-20)28-11-7-16(8-12-28)27-9-3-2-4-10-27/h5-6,13-14,16H,2-4,7-12H2,1H3,(H2,23,25)
InChIKeyXFJQNDMXAKRVKT-UHFFFAOYSA-N
MW408.58 g/mol
LogP4.10
Rot. Bonds3

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

6-methyl-5-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-yl]pyridin-2-amine (PubChem CID 46244098) has the molecular formula C22H28N6S and a molecular weight of 408.58 g/mol. Its IUPAC name is 6-methyl-5-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-yl]pyridin-2-amine.

Molecular Properties

Compound Name6-methyl-5-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-yl]pyridin-2-amine
PubChem CID46244098
Molecular FormulaC22H28N6S
Molecular Weight408.58 g/mol
Exact Mass408.21
IUPAC Name6-methyl-5-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-yl]pyridin-2-amine
SMILESCc1nc(N)ccc1-c1cc2sc(N3CCC(N4CCCCC4)CC3)nc2cn1
InChIInChI=1S/C22H28N6S/c1-15-17(5-6-21(23)25-15)18-13-20-19(14-24-18)26-22(29-20)28-11-7-16(8-12-28)27-9-3-2-4-10-27/h5-6,13-14,16H,2-4,7-12H2,1H3,(H2,23,25)
InChIKeyXFJQNDMXAKRVKT-UHFFFAOYSA-N
XLogP4.10
TPSA71.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.58
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-yl]pyridin-2-amine?
The IUPAC name of 6-methyl-5-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-yl]pyridin-2-amine (CID 46244098) is 6-methyl-5-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-yl]pyridin-2-amine.
What is the SMILES notation for 6-methyl-5-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-yl]pyridin-2-amine?
The canonical SMILES for 6-methyl-5-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-yl]pyridin-2-amine is Cc1nc(N)ccc1-c1cc2sc(N3CCC(N4CCCCC4)CC3)nc2cn1.
What is the InChIKey of 6-methyl-5-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-yl]pyridin-2-amine?
The InChIKey is XFJQNDMXAKRVKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6S/c1-15-17(5-6-21(23)25-15)18-13-20-19(14-24-18)26-22(29-20)28-11-7-16(8-12-28)27-9-3-2-4-10-27/h5-6,13-14,16H,2-4,7-12H2,1H3,(H2,23,25).
What are the key properties of 6-methyl-5-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-yl]pyridin-2-amine?
6-methyl-5-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-yl]pyridin-2-amine has a molecular weight of 408.58 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-yl]pyridin-2-amine is sourced from PubChem (CID 46244098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).