2-[4-(2,2-difluoro-5-azaspiro[2.5]octan-5-yl)piperidin-1-yl]-N-[(3,5-difluoro-2-pyridinyl)methyl]-1,3-thiazole-5-carboxamide

C22H25F4N5OS — CID 156735073

About 2-[4-(2,2-difluoro-5-azaspiro[2.5]octan-5-yl)piperidin-1-yl]-N-[(3,5-difluoro-2-pyridinyl)methyl]-1,3-thiazole-5-carboxamide

2-[4-(2,2-difluoro-5-azaspiro[2.5]octan-5-yl)piperidin-1-yl]-N-[(3,5-difluoro-2-pyridinyl)methyl]-1,3-thiazole-5-carboxamide (PubChem CID 156735073) has the molecular formula C22H25F4N5OS and a molecular weight of 483.54 g/mol. Its IUPAC name is 2-[4-(2,2-difluoro-5-azaspiro[2.5]octan-5-yl)piperidin-1-yl]-N-[(3,5-difluoro-2-pyridinyl)methyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

• Compound Name: 2-[4-(2,2-difluoro-5-azaspiro[2.5]octan-5-yl)piperidin-1-yl]-N-[(3,5-difluoro-2-pyridinyl)methyl]-1,3-thiazole-5-carboxamide
• PubChem CID: 156735073
• Molecular Formula: C22H25F4N5OS
• Molecular Weight: 483.54 g/mol
• Exact Mass: 483.17
• IUPAC Name: 2-[4-(2,2-difluoro-5-azaspiro[2.5]octan-5-yl)piperidin-1-yl]-N-[(3,5-difluoro-2-pyridinyl)methyl]-1,3-thiazole-5-carboxamide
• SMILES: O=C(NCc1ncc(F)cc1F)c1cnc(N2CCC(N3CCCC4(C3)CC4(F)F)CC2)s1
• InChI: InChI=1S/C22H25F4N5OS/c23-14-8-16(24)17(27-9-14)10-28-19(32)18-11-29-20(33-18)30-6-2-15(3-7-30)31-5-1-4-21(13-31)12-22(21,25)26/h8-9,11,15H,1-7,10,12-13H2,(H,28,32)
• InChIKey: GEIIJNRSUPZTGW-UHFFFAOYSA-N
• XLogP: 3.84
• TPSA: 61.36 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	483.54
LogP ≤ 5	3.84
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,2-difluoro-5-azaspiro[2.5]octan-5-yl)piperidin-1-yl]-N-[(3,5-difluoro-2-pyridinyl)methyl]-1,3-thiazole-5-carboxamide?

The IUPAC name of 2-[4-(2,2-difluoro-5-azaspiro[2.5]octan-5-yl)piperidin-1-yl]-N-[(3,5-difluoro-2-pyridinyl)methyl]-1,3-thiazole-5-carboxamide (CID 156735073) is 2-[4-(2,2-difluoro-5-azaspiro[2.5]octan-5-yl)piperidin-1-yl]-N-[(3,5-difluoro-2-pyridinyl)methyl]-1,3-thiazole-5-carboxamide.

What is the SMILES notation for 2-[4-(2,2-difluoro-5-azaspiro[2.5]octan-5-yl)piperidin-1-yl]-N-[(3,5-difluoro-2-pyridinyl)methyl]-1,3-thiazole-5-carboxamide?

The canonical SMILES for 2-[4-(2,2-difluoro-5-azaspiro[2.5]octan-5-yl)piperidin-1-yl]-N-[(3,5-difluoro-2-pyridinyl)methyl]-1,3-thiazole-5-carboxamide is O=C(NCc1ncc(F)cc1F)c1cnc(N2CCC(N3CCCC4(C3)CC4(F)F)CC2)s1.

What is the InChIKey of 2-[4-(2,2-difluoro-5-azaspiro[2.5]octan-5-yl)piperidin-1-yl]-N-[(3,5-difluoro-2-pyridinyl)methyl]-1,3-thiazole-5-carboxamide?

The InChIKey is GEIIJNRSUPZTGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F4N5OS/c23-14-8-16(24)17(27-9-14)10-28-19(32)18-11-29-20(33-18)30-6-2-15(3-7-30)31-5-1-4-21(13-31)12-22(21,25)26/h8-9,11,15H,1-7,10,12-13H2,(H,28,32).

What are the key properties of 2-[4-(2,2-difluoro-5-azaspiro[2.5]octan-5-yl)piperidin-1-yl]-N-[(3,5-difluoro-2-pyridinyl)methyl]-1,3-thiazole-5-carboxamide?

2-[4-(2,2-difluoro-5-azaspiro[2.5]octan-5-yl)piperidin-1-yl]-N-[(3,5-difluoro-2-pyridinyl)methyl]-1,3-thiazole-5-carboxamide has a molecular weight of 483.54 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(2,2-difluoro-5-azaspiro[2.5]octan-5-yl)piperidin-1-yl]-N-[(3,5-difluoro-2-pyridinyl)methyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 156735073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).