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

C17H21N5S — CID 45482683

IUPAC2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridine-6-carbonitrile
SMILESN#Cc1cc2sc(N3CCC(N4CCCCC4)CC3)nc2cn1
InChIInChI=1S/C17H21N5S/c18-11-13-10-16-15(12-19-13)20-17(23-16)22-8-4-14(5-9-22)21-6-2-1-3-7-21/h10,12,14H,1-9H2
InChIKeyCDQJEORKSUXXIR-UHFFFAOYSA-N
MW327.46 g/mol
LogP3.02
Rot. Bonds2

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

2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridine-6-carbonitrile (PubChem CID 45482683) has the molecular formula C17H21N5S and a molecular weight of 327.46 g/mol. Its IUPAC name is 2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridine-6-carbonitrile.

Molecular Properties

Compound Name2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridine-6-carbonitrile
PubChem CID45482683
Molecular FormulaC17H21N5S
Molecular Weight327.46 g/mol
Exact Mass327.15
IUPAC Name2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridine-6-carbonitrile
SMILESN#Cc1cc2sc(N3CCC(N4CCCCC4)CC3)nc2cn1
InChIInChI=1S/C17H21N5S/c18-11-13-10-16-15(12-19-13)20-17(23-16)22-8-4-14(5-9-22)21-6-2-1-3-7-21/h10,12,14H,1-9H2
InChIKeyCDQJEORKSUXXIR-UHFFFAOYSA-N
XLogP3.02
TPSA56.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.46
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridine-6-carbonitrile?
The IUPAC name of 2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridine-6-carbonitrile (CID 45482683) is 2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridine-6-carbonitrile.
What is the SMILES notation for 2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridine-6-carbonitrile?
The canonical SMILES for 2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridine-6-carbonitrile is N#Cc1cc2sc(N3CCC(N4CCCCC4)CC3)nc2cn1.
What is the InChIKey of 2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridine-6-carbonitrile?
The InChIKey is CDQJEORKSUXXIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5S/c18-11-13-10-16-15(12-19-13)20-17(23-16)22-8-4-14(5-9-22)21-6-2-1-3-7-21/h10,12,14H,1-9H2.
What are the key properties of 2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridine-6-carbonitrile?
2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridine-6-carbonitrile has a molecular weight of 327.46 g/mol, XLogP of 3.02, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridine-6-carbonitrile is sourced from PubChem (CID 45482683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).