4-[4-(2-imidazo[2,1-b][1,3]thiazol-6-ylethylamino)piperidin-1-yl]-N-(pyridin-3-ylmethyl)benzamide

C25H28N6OS — CID 42276196

About 4-[4-(2-imidazo[2,1-b][1,3]thiazol-6-ylethylamino)piperidin-1-yl]-N-(pyridin-3-ylmethyl)benzamide

4-[4-(2-imidazo[2,1-b][1,3]thiazol-6-ylethylamino)piperidin-1-yl]-N-(pyridin-3-ylmethyl)benzamide (PubChem CID 42276196) has the molecular formula C25H28N6OS and a molecular weight of 460.61 g/mol. Its IUPAC name is 4-[4-(2-imidazo[2,1-b][1,3]thiazol-6-ylethylamino)piperidin-1-yl]-N-(pyridin-3-ylmethyl)benzamide.

Molecular Properties

• Compound Name: 4-[4-(2-imidazo[2,1-b][1,3]thiazol-6-ylethylamino)piperidin-1-yl]-N-(pyridin-3-ylmethyl)benzamide
• PubChem CID: 42276196
• Molecular Formula: C25H28N6OS
• Molecular Weight: 460.61 g/mol
• Exact Mass: 460.20
• IUPAC Name: 4-[4-(2-imidazo[2,1-b][1,3]thiazol-6-ylethylamino)piperidin-1-yl]-N-(pyridin-3-ylmethyl)benzamide
• SMILES: O=C(NCc1cccnc1)c1ccc(N2CCC(NCCc3cn4ccsc4n3)CC2)cc1
• InChI: InChI=1S/C25H28N6OS/c32-24(28-17-19-2-1-10-26-16-19)20-3-5-23(6-4-20)30-12-8-21(9-13-30)27-11-7-22-18-31-14-15-33-25(31)29-22/h1-6,10,14-16,18,21,27H,7-9,11-13,17H2,(H,28,32)
• InChIKey: LDKVBNIVBLMLFQ-UHFFFAOYSA-N
• XLogP: 3.52
• TPSA: 74.56 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	460.61
LogP ≤ 5	3.52
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-imidazo[2,1-b][1,3]thiazol-6-ylethylamino)piperidin-1-yl]-N-(pyridin-3-ylmethyl)benzamide?

The IUPAC name of 4-[4-(2-imidazo[2,1-b][1,3]thiazol-6-ylethylamino)piperidin-1-yl]-N-(pyridin-3-ylmethyl)benzamide (CID 42276196) is 4-[4-(2-imidazo[2,1-b][1,3]thiazol-6-ylethylamino)piperidin-1-yl]-N-(pyridin-3-ylmethyl)benzamide.

What is the SMILES notation for 4-[4-(2-imidazo[2,1-b][1,3]thiazol-6-ylethylamino)piperidin-1-yl]-N-(pyridin-3-ylmethyl)benzamide?

The canonical SMILES for 4-[4-(2-imidazo[2,1-b][1,3]thiazol-6-ylethylamino)piperidin-1-yl]-N-(pyridin-3-ylmethyl)benzamide is O=C(NCc1cccnc1)c1ccc(N2CCC(NCCc3cn4ccsc4n3)CC2)cc1.

What is the InChIKey of 4-[4-(2-imidazo[2,1-b][1,3]thiazol-6-ylethylamino)piperidin-1-yl]-N-(pyridin-3-ylmethyl)benzamide?

The InChIKey is LDKVBNIVBLMLFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N6OS/c32-24(28-17-19-2-1-10-26-16-19)20-3-5-23(6-4-20)30-12-8-21(9-13-30)27-11-7-22-18-31-14-15-33-25(31)29-22/h1-6,10,14-16,18,21,27H,7-9,11-13,17H2,(H,28,32).

What are the key properties of 4-[4-(2-imidazo[2,1-b][1,3]thiazol-6-ylethylamino)piperidin-1-yl]-N-(pyridin-3-ylmethyl)benzamide?

4-[4-(2-imidazo[2,1-b][1,3]thiazol-6-ylethylamino)piperidin-1-yl]-N-(pyridin-3-ylmethyl)benzamide has a molecular weight of 460.61 g/mol, XLogP of 3.52, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-(2-imidazo[2,1-b][1,3]thiazol-6-ylethylamino)piperidin-1-yl]-N-(pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 42276196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).