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

C22H27N5S — CID 58579712

IUPAC6-(5-methyl-3-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine
SMILESCc1cncc(-c2cnc3nc(N4CCC(N5CCCCC5)CC4)sc3c2)c1
InChIInChI=1S/C22H27N5S/c1-16-11-17(14-23-13-16)18-12-20-21(24-15-18)25-22(28-20)27-9-5-19(6-10-27)26-7-3-2-4-8-26/h11-15,19H,2-10H2,1H3
InChIKeyJPTKSQYUNLLHDQ-UHFFFAOYSA-N
MW393.56 g/mol
LogP4.52
Rot. Bonds3

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

6-(5-methyl-3-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine (PubChem CID 58579712) has the molecular formula C22H27N5S and a molecular weight of 393.56 g/mol. Its IUPAC name is 6-(5-methyl-3-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine.

Molecular Properties

Compound Name6-(5-methyl-3-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine
PubChem CID58579712
Molecular FormulaC22H27N5S
Molecular Weight393.56 g/mol
Exact Mass393.20
IUPAC Name6-(5-methyl-3-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine
SMILESCc1cncc(-c2cnc3nc(N4CCC(N5CCCCC5)CC4)sc3c2)c1
InChIInChI=1S/C22H27N5S/c1-16-11-17(14-23-13-16)18-12-20-21(24-15-18)25-22(28-20)27-9-5-19(6-10-27)26-7-3-2-4-8-26/h11-15,19H,2-10H2,1H3
InChIKeyJPTKSQYUNLLHDQ-UHFFFAOYSA-N
XLogP4.52
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.56
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(5-methyl-3-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine?
The IUPAC name of 6-(5-methyl-3-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine (CID 58579712) is 6-(5-methyl-3-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine.
What is the SMILES notation for 6-(5-methyl-3-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine?
The canonical SMILES for 6-(5-methyl-3-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine is Cc1cncc(-c2cnc3nc(N4CCC(N5CCCCC5)CC4)sc3c2)c1.
What is the InChIKey of 6-(5-methyl-3-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine?
The InChIKey is JPTKSQYUNLLHDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5S/c1-16-11-17(14-23-13-16)18-12-20-21(24-15-18)25-22(28-20)27-9-5-19(6-10-27)26-7-3-2-4-8-26/h11-15,19H,2-10H2,1H3.
What are the key properties of 6-(5-methyl-3-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine?
6-(5-methyl-3-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine has a molecular weight of 393.56 g/mol, XLogP of 4.52, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-methyl-3-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine is sourced from PubChem (CID 58579712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).