5-(3,5-difluorophenyl)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-1,3-thiazole-2-carboxamide

C18H19F2N3OS — CID 18180950

About 5-(3,5-difluorophenyl)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-1,3-thiazole-2-carboxamide

5-(3,5-difluorophenyl)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-1,3-thiazole-2-carboxamide (PubChem CID 18180950) has the molecular formula C18H19F2N3OS and a molecular weight of 363.43 g/mol. Its IUPAC name is 5-(3,5-difluorophenyl)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-1,3-thiazole-2-carboxamide.

Molecular Properties

• Compound Name: 5-(3,5-difluorophenyl)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-1,3-thiazole-2-carboxamide
• PubChem CID: 18180950
• Molecular Formula: C18H19F2N3OS
• Molecular Weight: 363.43 g/mol
• Exact Mass: 363.12
• IUPAC Name: 5-(3,5-difluorophenyl)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-1,3-thiazole-2-carboxamide
• SMILES: CC1C(NC(=O)c2ncc(-c3cc(F)cc(F)c3)s2)C2CCN1CC2
• InChI: InChI=1S/C18H19F2N3OS/c1-10-16(11-2-4-23(10)5-3-11)22-17(24)18-21-9-15(25-18)12-6-13(19)8-14(20)7-12/h6-11,16H,2-5H2,1H3,(H,22,24)
• InChIKey: VXDYSDZFRCQZDU-UHFFFAOYSA-N
• XLogP: 3.30
• TPSA: 45.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	363.43
LogP ≤ 5	3.30
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 5-(3,5-difluorophenyl)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-1,3-thiazole-2-carboxamide?

The IUPAC name of 5-(3,5-difluorophenyl)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-1,3-thiazole-2-carboxamide (CID 18180950) is 5-(3,5-difluorophenyl)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-1,3-thiazole-2-carboxamide.

What is the SMILES notation for 5-(3,5-difluorophenyl)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-1,3-thiazole-2-carboxamide?

The canonical SMILES for 5-(3,5-difluorophenyl)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-1,3-thiazole-2-carboxamide is CC1C(NC(=O)c2ncc(-c3cc(F)cc(F)c3)s2)C2CCN1CC2.

What is the InChIKey of 5-(3,5-difluorophenyl)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-1,3-thiazole-2-carboxamide?

The InChIKey is VXDYSDZFRCQZDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2N3OS/c1-10-16(11-2-4-23(10)5-3-11)22-17(24)18-21-9-15(25-18)12-6-13(19)8-14(20)7-12/h6-11,16H,2-5H2,1H3,(H,22,24).

What are the key properties of 5-(3,5-difluorophenyl)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-1,3-thiazole-2-carboxamide?

5-(3,5-difluorophenyl)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-1,3-thiazole-2-carboxamide has a molecular weight of 363.43 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(3,5-difluorophenyl)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 18180950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).