N-[[3-fluoro-4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]-2,6-dimethylimidazo[2,1-b][1,3]thiazole-5-carboxamide;hydrochloride

C27H27ClF4N4O2S — CID 163202163

About N-[[3-fluoro-4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]-2,6-dimethylimidazo[2,1-b][1,3]thiazole-5-carboxamide;hydrochloride

N-[[3-fluoro-4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]-2,6-dimethylimidazo[2,1-b][1,3]thiazole-5-carboxamide;hydrochloride (PubChem CID 163202163) has the molecular formula C27H27ClF4N4O2S and a molecular weight of 583.05 g/mol. Its IUPAC name is N-[[3-fluoro-4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]-2,6-dimethylimidazo[2,1-b][1,3]thiazole-5-carboxamide;hydrochloride.

Molecular Properties

• Compound Name: N-[[3-fluoro-4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]-2,6-dimethylimidazo[2,1-b][1,3]thiazole-5-carboxamide;hydrochloride
• PubChem CID: 163202163
• Molecular Formula: C27H27ClF4N4O2S
• Molecular Weight: 583.05 g/mol
• Exact Mass: 582.15
• IUPAC Name: N-[[3-fluoro-4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]-2,6-dimethylimidazo[2,1-b][1,3]thiazole-5-carboxamide;hydrochloride
• SMILES: Cc1cn2c(C(=O)NCc3ccc(N4CCC(c5ccc(OC(F)(F)F)cc5)CC4)c(F)c3)c(C)nc2s1.Cl
• InChI: InChI=1S/C27H26F4N4O2S.ClH/c1-16-15-35-24(17(2)33-26(35)38-16)25(36)32-14-18-3-8-23(22(28)13-18)34-11-9-20(10-12-34)19-4-6-21(7-5-19)37-27(29,30)31;/h3-8,13,15,20H,9-12,14H2,1-2H3,(H,32,36);1H
• InChIKey: BTJQLYSEXGJVGN-UHFFFAOYSA-N
• XLogP: 6.79
• TPSA: 58.87 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	583.05
LogP ≤ 5	6.79
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[[3-fluoro-4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]-2,6-dimethylimidazo[2,1-b][1,3]thiazole-5-carboxamide;hydrochloride?

The IUPAC name of N-[[3-fluoro-4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]-2,6-dimethylimidazo[2,1-b][1,3]thiazole-5-carboxamide;hydrochloride (CID 163202163) is N-[[3-fluoro-4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]-2,6-dimethylimidazo[2,1-b][1,3]thiazole-5-carboxamide;hydrochloride.

What is the SMILES notation for N-[[3-fluoro-4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]-2,6-dimethylimidazo[2,1-b][1,3]thiazole-5-carboxamide;hydrochloride?

The canonical SMILES for N-[[3-fluoro-4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]-2,6-dimethylimidazo[2,1-b][1,3]thiazole-5-carboxamide;hydrochloride is Cc1cn2c(C(=O)NCc3ccc(N4CCC(c5ccc(OC(F)(F)F)cc5)CC4)c(F)c3)c(C)nc2s1.Cl.

What is the InChIKey of N-[[3-fluoro-4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]-2,6-dimethylimidazo[2,1-b][1,3]thiazole-5-carboxamide;hydrochloride?

The InChIKey is BTJQLYSEXGJVGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26F4N4O2S.ClH/c1-16-15-35-24(17(2)33-26(35)38-16)25(36)32-14-18-3-8-23(22(28)13-18)34-11-9-20(10-12-34)19-4-6-21(7-5-19)37-27(29,30)31;/h3-8,13,15,20H,9-12,14H2,1-2H3,(H,32,36);1H.

What are the key properties of N-[[3-fluoro-4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]-2,6-dimethylimidazo[2,1-b][1,3]thiazole-5-carboxamide;hydrochloride?

N-[[3-fluoro-4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]-2,6-dimethylimidazo[2,1-b][1,3]thiazole-5-carboxamide;hydrochloride has a molecular weight of 583.05 g/mol, XLogP of 6.79, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[3-fluoro-4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]-2,6-dimethylimidazo[2,1-b][1,3]thiazole-5-carboxamide;hydrochloride is sourced from PubChem (CID 163202163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).