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

C26H25F3N4O2S — CID 134151016

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

6-methyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide (PubChem CID 134151016) has the molecular formula C26H25F3N4O2S and a molecular weight of 514.57 g/mol. Its IUPAC name is 6-methyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide.

Molecular Properties

• Compound Name: 6-methyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
• PubChem CID: 134151016
• Molecular Formula: C26H25F3N4O2S
• Molecular Weight: 514.57 g/mol
• Exact Mass: 514.17
• IUPAC Name: 6-methyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
• SMILES: Cc1nc2sccn2c1C(=O)NCc1ccc(N2CCC(c3ccc(OC(F)(F)F)cc3)CC2)cc1
• InChI: InChI=1S/C26H25F3N4O2S/c1-17-23(33-14-15-36-25(33)31-17)24(34)30-16-18-2-6-21(7-3-18)32-12-10-20(11-13-32)19-4-8-22(9-5-19)35-26(27,28)29/h2-9,14-15,20H,10-13,16H2,1H3,(H,30,34)
• InChIKey: YVTWYSXMTUCWBK-UHFFFAOYSA-N
• XLogP: 5.92
• TPSA: 58.87 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	514.57
LogP ≤ 5	5.92
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of 6-methyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide (CID 134151016) is 6-methyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide.

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

The canonical SMILES for 6-methyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide is Cc1nc2sccn2c1C(=O)NCc1ccc(N2CCC(c3ccc(OC(F)(F)F)cc3)CC2)cc1.

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

The InChIKey is YVTWYSXMTUCWBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F3N4O2S/c1-17-23(33-14-15-36-25(33)31-17)24(34)30-16-18-2-6-21(7-3-18)32-12-10-20(11-13-32)19-4-8-22(9-5-19)35-26(27,28)29/h2-9,14-15,20H,10-13,16H2,1H3,(H,30,34).

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

6-methyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide has a molecular weight of 514.57 g/mol, XLogP of 5.92, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-methyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide is sourced from PubChem (CID 134151016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).