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

C17H24N4S — CID 46244011

IUPAC6-methyl-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridine
SMILESCc1cc2sc(N3CCC(N4CCCCC4)CC3)nc2cn1
InChIInChI=1S/C17H24N4S/c1-13-11-16-15(12-18-13)19-17(22-16)21-9-5-14(6-10-21)20-7-3-2-4-8-20/h11-12,14H,2-10H2,1H3
InChIKeyDBXPYPUNBIFVKO-UHFFFAOYSA-N
MW316.47 g/mol
LogP3.45
Rot. Bonds2

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

6-methyl-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridine (PubChem CID 46244011) has the molecular formula C17H24N4S and a molecular weight of 316.47 g/mol. Its IUPAC name is 6-methyl-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridine.

Molecular Properties

Compound Name6-methyl-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridine
PubChem CID46244011
Molecular FormulaC17H24N4S
Molecular Weight316.47 g/mol
Exact Mass316.17
IUPAC Name6-methyl-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridine
SMILESCc1cc2sc(N3CCC(N4CCCCC4)CC3)nc2cn1
InChIInChI=1S/C17H24N4S/c1-13-11-16-15(12-18-13)19-17(22-16)21-9-5-14(6-10-21)20-7-3-2-4-8-20/h11-12,14H,2-10H2,1H3
InChIKeyDBXPYPUNBIFVKO-UHFFFAOYSA-N
XLogP3.45
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.47
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridine?
The IUPAC name of 6-methyl-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridine (CID 46244011) is 6-methyl-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridine.
What is the SMILES notation for 6-methyl-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridine?
The canonical SMILES for 6-methyl-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridine is Cc1cc2sc(N3CCC(N4CCCCC4)CC3)nc2cn1.
What is the InChIKey of 6-methyl-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridine?
The InChIKey is DBXPYPUNBIFVKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4S/c1-13-11-16-15(12-18-13)19-17(22-16)21-9-5-14(6-10-21)20-7-3-2-4-8-20/h11-12,14H,2-10H2,1H3.
What are the key properties of 6-methyl-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridine?
6-methyl-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridine has a molecular weight of 316.47 g/mol, XLogP of 3.45, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridine is sourced from PubChem (CID 46244011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).