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

C16H22N4S — CID 45482781

IUPAC2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridine
SMILESc1cc2sc(N3CCC(N4CCCCC4)CC3)nc2cn1
InChIInChI=1S/C16H22N4S/c1-2-8-19(9-3-1)13-5-10-20(11-6-13)16-18-14-12-17-7-4-15(14)21-16/h4,7,12-13H,1-3,5-6,8-11H2
InChIKeyCYASDRJNADLAFT-UHFFFAOYSA-N
MW302.45 g/mol
LogP3.15
Rot. Bonds2

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

2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridine (PubChem CID 45482781) has the molecular formula C16H22N4S and a molecular weight of 302.45 g/mol. Its IUPAC name is 2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridine.

Molecular Properties

Compound Name2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridine
PubChem CID45482781
Molecular FormulaC16H22N4S
Molecular Weight302.45 g/mol
Exact Mass302.16
IUPAC Name2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridine
SMILESc1cc2sc(N3CCC(N4CCCCC4)CC3)nc2cn1
InChIInChI=1S/C16H22N4S/c1-2-8-19(9-3-1)13-5-10-20(11-6-13)16-18-14-12-17-7-4-15(14)21-16/h4,7,12-13H,1-3,5-6,8-11H2
InChIKeyCYASDRJNADLAFT-UHFFFAOYSA-N
XLogP3.15
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.45
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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?
The IUPAC name of 2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridine (CID 45482781) is 2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridine.
What is the SMILES notation for 2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridine?
The canonical SMILES for 2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridine is c1cc2sc(N3CCC(N4CCCCC4)CC3)nc2cn1.
What is the InChIKey of 2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridine?
The InChIKey is CYASDRJNADLAFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4S/c1-2-8-19(9-3-1)13-5-10-20(11-6-13)16-18-14-12-17-7-4-15(14)21-16/h4,7,12-13H,1-3,5-6,8-11H2.
What are the key properties of 2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridine?
2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridine has a molecular weight of 302.45 g/mol, XLogP of 3.15, 2 rotatable bonds, 0 hydrogen bond donors, and 5 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 is sourced from PubChem (CID 45482781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).