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

C27H26ClF5N4O2S — CID 163202256

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

N-[[3,5-difluoro-4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]-2,6-dimethylimidazo[2,1-b][1,3]thiazole-5-carboxamide;hydrochloride (PubChem CID 163202256) has the molecular formula C27H26ClF5N4O2S and a molecular weight of 601.04 g/mol. Its IUPAC name is N-[[3,5-difluoro-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-[[3,5-difluoro-4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]-2,6-dimethylimidazo[2,1-b][1,3]thiazole-5-carboxamide;hydrochloride
• PubChem CID: 163202256
• Molecular Formula: C27H26ClF5N4O2S
• Molecular Weight: 601.04 g/mol
• Exact Mass: 600.14
• IUPAC Name: N-[[3,5-difluoro-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)NCc3cc(F)c(N4CCC(c5ccc(OC(F)(F)F)cc5)CC4)c(F)c3)c(C)nc2s1.Cl
• InChI: InChI=1S/C27H25F5N4O2S.ClH/c1-15-14-36-23(16(2)34-26(36)39-15)25(37)33-13-17-11-21(28)24(22(29)12-17)35-9-7-19(8-10-35)18-3-5-20(6-4-18)38-27(30,31)32;/h3-6,11-12,14,19H,7-10,13H2,1-2H3,(H,33,37);1H
• InChIKey: XMRWLFRHPYCSNW-UHFFFAOYSA-N
• XLogP: 6.93
• TPSA: 58.87 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	601.04
LogP ≤ 5	6.93
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[[3,5-difluoro-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-[[3,5-difluoro-4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]-2,6-dimethylimidazo[2,1-b][1,3]thiazole-5-carboxamide;hydrochloride (CID 163202256) is N-[[3,5-difluoro-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-[[3,5-difluoro-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-[[3,5-difluoro-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)NCc3cc(F)c(N4CCC(c5ccc(OC(F)(F)F)cc5)CC4)c(F)c3)c(C)nc2s1.Cl.

What is the InChIKey of N-[[3,5-difluoro-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 XMRWLFRHPYCSNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25F5N4O2S.ClH/c1-15-14-36-23(16(2)34-26(36)39-15)25(37)33-13-17-11-21(28)24(22(29)12-17)35-9-7-19(8-10-35)18-3-5-20(6-4-18)38-27(30,31)32;/h3-6,11-12,14,19H,7-10,13H2,1-2H3,(H,33,37);1H.

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

N-[[3,5-difluoro-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 601.04 g/mol, XLogP of 6.93, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[3,5-difluoro-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 163202256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).