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

C16H21BrN4S — CID 45482704

IUPAC6-bromo-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine
SMILESBrc1cnc2nc(N3CCC(N4CCCCC4)CC3)sc2c1
InChIInChI=1S/C16H21BrN4S/c17-12-10-14-15(18-11-12)19-16(22-14)21-8-4-13(5-9-21)20-6-2-1-3-7-20/h10-11,13H,1-9H2
InChIKeyVQGOILFFKJYPFB-UHFFFAOYSA-N
MW381.34 g/mol
LogP3.91
Rot. Bonds2

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

6-bromo-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine (PubChem CID 45482704) has the molecular formula C16H21BrN4S and a molecular weight of 381.34 g/mol. Its IUPAC name is 6-bromo-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine.

Molecular Properties

Compound Name6-bromo-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine
PubChem CID45482704
Molecular FormulaC16H21BrN4S
Molecular Weight381.34 g/mol
Exact Mass380.07
IUPAC Name6-bromo-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine
SMILESBrc1cnc2nc(N3CCC(N4CCCCC4)CC3)sc2c1
InChIInChI=1S/C16H21BrN4S/c17-12-10-14-15(18-11-12)19-16(22-14)21-8-4-13(5-9-21)20-6-2-1-3-7-20/h10-11,13H,1-9H2
InChIKeyVQGOILFFKJYPFB-UHFFFAOYSA-N
XLogP3.91
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.34
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine?
The IUPAC name of 6-bromo-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine (CID 45482704) is 6-bromo-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine.
What is the SMILES notation for 6-bromo-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine?
The canonical SMILES for 6-bromo-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine is Brc1cnc2nc(N3CCC(N4CCCCC4)CC3)sc2c1.
What is the InChIKey of 6-bromo-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine?
The InChIKey is VQGOILFFKJYPFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrN4S/c17-12-10-14-15(18-11-12)19-16(22-14)21-8-4-13(5-9-21)20-6-2-1-3-7-20/h10-11,13H,1-9H2.
What are the key properties of 6-bromo-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine?
6-bromo-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine has a molecular weight of 381.34 g/mol, XLogP of 3.91, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine is sourced from PubChem (CID 45482704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).