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

C48H64Br2N12S3 — CID 160688497

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

bis(6-bromo-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine);2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine (PubChem CID 160688497) has the molecular formula C48H64Br2N12S3 and a molecular weight of 1065.13 g/mol. Its IUPAC name is bis(6-bromo-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine);2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine.

Molecular Properties

• Compound Name: bis(6-bromo-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine);2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine
• PubChem CID: 160688497
• Molecular Formula: C48H64Br2N12S3
• Molecular Weight: 1065.13 g/mol
• Exact Mass: 1062.29
• IUPAC Name: bis(6-bromo-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine);2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine
• SMILES: Brc1cnc2nc(N3CCC(N4CCCCC4)CC3)sc2c1.Brc1cnc2nc(N3CCC(N4CCCCC4)CC3)sc2c1.c1cnc2nc(N3CCC(N4CCCCC4)CC3)sc2c1
• InChI: InChI=1S/2C16H21BrN4S.C16H22N4S/c2*17-12-10-14-15(18-11-12)19-16(22-14)21-8-4-13(5-9-21)20-6-2-1-3-7-20;1-2-9-19(10-3-1)13-6-11-20(12-7-13)16-18-15-14(21-16)5-4-8-17-15/h2*10-11,13H,1-9H2;4-5,8,13H,1-3,6-7,9-12H2
• InChIKey: RPCBFWMHVBOKGX-UHFFFAOYSA-N
• XLogP: 10.96
• TPSA: 96.78 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 6
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1065.13
LogP ≤ 5	10.96
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of bis(6-bromo-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine);2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine?

The IUPAC name of bis(6-bromo-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine);2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine (CID 160688497) is bis(6-bromo-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine);2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine.

What is the SMILES notation for bis(6-bromo-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine);2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine?

The canonical SMILES for bis(6-bromo-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine);2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine is Brc1cnc2nc(N3CCC(N4CCCCC4)CC3)sc2c1.Brc1cnc2nc(N3CCC(N4CCCCC4)CC3)sc2c1.c1cnc2nc(N3CCC(N4CCCCC4)CC3)sc2c1.

What is the InChIKey of bis(6-bromo-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine);2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine?

The InChIKey is RPCBFWMHVBOKGX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C16H21BrN4S.C16H22N4S/c2*17-12-10-14-15(18-11-12)19-16(22-14)21-8-4-13(5-9-21)20-6-2-1-3-7-20;1-2-9-19(10-3-1)13-6-11-20(12-7-13)16-18-15-14(21-16)5-4-8-17-15/h2*10-11,13H,1-9H2;4-5,8,13H,1-3,6-7,9-12H2.

What are the key properties of bis(6-bromo-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine);2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine?

bis(6-bromo-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine);2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine has a molecular weight of 1065.13 g/mol, XLogP of 10.96, 6 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for bis(6-bromo-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine);2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine is sourced from PubChem (CID 160688497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).