N-[4-[1-(2,2-difluoroethyl)piperidin-4-yl]oxy-3-fluorophenyl]-3-methyl-5-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-1,2-thiazole-4-carboxamide

C24H23F6N5O2S — CID 149197157

About N-[4-[1-(2,2-difluoroethyl)piperidin-4-yl]oxy-3-fluorophenyl]-3-methyl-5-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-1,2-thiazole-4-carboxamide

N-[4-[1-(2,2-difluoroethyl)piperidin-4-yl]oxy-3-fluorophenyl]-3-methyl-5-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-1,2-thiazole-4-carboxamide (PubChem CID 149197157) has the molecular formula C24H23F6N5O2S and a molecular weight of 559.54 g/mol. Its IUPAC name is N-[4-[1-(2,2-difluoroethyl)piperidin-4-yl]oxy-3-fluorophenyl]-3-methyl-5-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-1,2-thiazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[4-[1-(2,2-difluoroethyl)piperidin-4-yl]oxy-3-fluorophenyl]-3-methyl-5-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-1,2-thiazole-4-carboxamide
• PubChem CID: 149197157
• Molecular Formula: C24H23F6N5O2S
• Molecular Weight: 559.54 g/mol
• Exact Mass: 559.15
• IUPAC Name: N-[4-[1-(2,2-difluoroethyl)piperidin-4-yl]oxy-3-fluorophenyl]-3-methyl-5-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-1,2-thiazole-4-carboxamide
• SMILES: Cc1nsc(Cc2cnc(C(F)(F)F)cn2)c1C(=O)Nc1ccc(OC2CCN(CC(F)F)CC2)c(F)c1
• InChI: InChI=1S/C24H23F6N5O2S/c1-13-22(19(38-34-13)9-15-10-32-20(11-31-15)24(28,29)30)23(36)33-14-2-3-18(17(25)8-14)37-16-4-6-35(7-5-16)12-21(26)27/h2-3,8,10-11,16,21H,4-7,9,12H2,1H3,(H,33,36)
• InChIKey: XDZFCCXYQZHWLB-UHFFFAOYSA-N
• XLogP: 5.35
• TPSA: 80.24 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	559.54
LogP ≤ 5	5.35
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(2,2-difluoroethyl)piperidin-4-yl]oxy-3-fluorophenyl]-3-methyl-5-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-1,2-thiazole-4-carboxamide?

The IUPAC name of N-[4-[1-(2,2-difluoroethyl)piperidin-4-yl]oxy-3-fluorophenyl]-3-methyl-5-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-1,2-thiazole-4-carboxamide (CID 149197157) is N-[4-[1-(2,2-difluoroethyl)piperidin-4-yl]oxy-3-fluorophenyl]-3-methyl-5-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-1,2-thiazole-4-carboxamide.

What is the SMILES notation for N-[4-[1-(2,2-difluoroethyl)piperidin-4-yl]oxy-3-fluorophenyl]-3-methyl-5-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-1,2-thiazole-4-carboxamide?

The canonical SMILES for N-[4-[1-(2,2-difluoroethyl)piperidin-4-yl]oxy-3-fluorophenyl]-3-methyl-5-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-1,2-thiazole-4-carboxamide is Cc1nsc(Cc2cnc(C(F)(F)F)cn2)c1C(=O)Nc1ccc(OC2CCN(CC(F)F)CC2)c(F)c1.

What is the InChIKey of N-[4-[1-(2,2-difluoroethyl)piperidin-4-yl]oxy-3-fluorophenyl]-3-methyl-5-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-1,2-thiazole-4-carboxamide?

The InChIKey is XDZFCCXYQZHWLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F6N5O2S/c1-13-22(19(38-34-13)9-15-10-32-20(11-31-15)24(28,29)30)23(36)33-14-2-3-18(17(25)8-14)37-16-4-6-35(7-5-16)12-21(26)27/h2-3,8,10-11,16,21H,4-7,9,12H2,1H3,(H,33,36).

What are the key properties of N-[4-[1-(2,2-difluoroethyl)piperidin-4-yl]oxy-3-fluorophenyl]-3-methyl-5-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-1,2-thiazole-4-carboxamide?

N-[4-[1-(2,2-difluoroethyl)piperidin-4-yl]oxy-3-fluorophenyl]-3-methyl-5-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-1,2-thiazole-4-carboxamide has a molecular weight of 559.54 g/mol, XLogP of 5.35, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[1-(2,2-difluoroethyl)piperidin-4-yl]oxy-3-fluorophenyl]-3-methyl-5-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 149197157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).