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

C22H24F5N5OS — CID 156735003

About 2-[4-(2,2-difluoro-5-azaspiro[2.5]octan-5-yl)-3-fluoropiperidin-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)-3-fluoropiperidin-1-yl]-N-[(3,5-difluoro-2-pyridinyl)methyl]-1,3-thiazole-5-carboxamide (PubChem CID 156735003) has the molecular formula C22H24F5N5OS and a molecular weight of 501.53 g/mol. Its IUPAC name is 2-[4-(2,2-difluoro-5-azaspiro[2.5]octan-5-yl)-3-fluoropiperidin-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)-3-fluoropiperidin-1-yl]-N-[(3,5-difluoro-2-pyridinyl)methyl]-1,3-thiazole-5-carboxamide
• PubChem CID: 156735003
• Molecular Formula: C22H24F5N5OS
• Molecular Weight: 501.53 g/mol
• Exact Mass: 501.16
• IUPAC Name: 2-[4-(2,2-difluoro-5-azaspiro[2.5]octan-5-yl)-3-fluoropiperidin-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)C(F)C2)s1
• InChI: InChI=1S/C22H24F5N5OS/c23-13-6-14(24)16(28-7-13)8-29-19(33)18-9-30-20(34-18)31-5-2-17(15(25)10-31)32-4-1-3-21(12-32)11-22(21,26)27/h6-7,9,15,17H,1-5,8,10-12H2,(H,29,33)
• InChIKey: WJPCAIFTUMAFAE-UHFFFAOYSA-N
• XLogP: 3.78
• TPSA: 61.36 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	501.53
LogP ≤ 5	3.78
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)-3-fluoropiperidin-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)-3-fluoropiperidin-1-yl]-N-[(3,5-difluoro-2-pyridinyl)methyl]-1,3-thiazole-5-carboxamide (CID 156735003) is 2-[4-(2,2-difluoro-5-azaspiro[2.5]octan-5-yl)-3-fluoropiperidin-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)-3-fluoropiperidin-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)-3-fluoropiperidin-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)C(F)C2)s1.

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

The InChIKey is WJPCAIFTUMAFAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F5N5OS/c23-13-6-14(24)16(28-7-13)8-29-19(33)18-9-30-20(34-18)31-5-2-17(15(25)10-31)32-4-1-3-21(12-32)11-22(21,26)27/h6-7,9,15,17H,1-5,8,10-12H2,(H,29,33).

What are the key properties of 2-[4-(2,2-difluoro-5-azaspiro[2.5]octan-5-yl)-3-fluoropiperidin-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)-3-fluoropiperidin-1-yl]-N-[(3,5-difluoro-2-pyridinyl)methyl]-1,3-thiazole-5-carboxamide has a molecular weight of 501.53 g/mol, XLogP of 3.78, 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)-3-fluoropiperidin-1-yl]-N-[(3,5-difluoro-2-pyridinyl)methyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 156735003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).