(2-methyl-5-phenyl-1,3-thiazol-4-yl)-[(2S)-2-[[8-(2,2,2-trifluoroethoxy)imidazo[1,2-a]pyridin-2-yl]methyl]piperidin-1-yl]methanone

C26H25F3N4O2S — CID 25164944

About (2-methyl-5-phenyl-1,3-thiazol-4-yl)-[(2S)-2-[[8-(2,2,2-trifluoroethoxy)imidazo[1,2-a]pyridin-2-yl]methyl]piperidin-1-yl]methanone

(2-methyl-5-phenyl-1,3-thiazol-4-yl)-[(2S)-2-[[8-(2,2,2-trifluoroethoxy)imidazo[1,2-a]pyridin-2-yl]methyl]piperidin-1-yl]methanone (PubChem CID 25164944) has the molecular formula C26H25F3N4O2S and a molecular weight of 514.57 g/mol. Its IUPAC name is (2-methyl-5-phenyl-1,3-thiazol-4-yl)-[(2S)-2-[[8-(2,2,2-trifluoroethoxy)imidazo[1,2-a]pyridin-2-yl]methyl]piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: (2-methyl-5-phenyl-1,3-thiazol-4-yl)-[(2S)-2-[[8-(2,2,2-trifluoroethoxy)imidazo[1,2-a]pyridin-2-yl]methyl]piperidin-1-yl]methanone
• PubChem CID: 25164944
• Molecular Formula: C26H25F3N4O2S
• Molecular Weight: 514.57 g/mol
• Exact Mass: 514.17
• IUPAC Name: (2-methyl-5-phenyl-1,3-thiazol-4-yl)-[(2S)-2-[[8-(2,2,2-trifluoroethoxy)imidazo[1,2-a]pyridin-2-yl]methyl]piperidin-1-yl]methanone
• SMILES: Cc1nc(C(=O)N2CCCC[C@H]2Cc2cn3cccc(OCC(F)(F)F)c3n2)c(-c2ccccc2)s1
• InChI: InChI=1S/C26H25F3N4O2S/c1-17-30-22(23(36-17)18-8-3-2-4-9-18)25(34)33-13-6-5-10-20(33)14-19-15-32-12-7-11-21(24(32)31-19)35-16-26(27,28)29/h2-4,7-9,11-12,15,20H,5-6,10,13-14,16H2,1H3/t20-/m0/s1
• InChIKey: NJQVFSKVZKKHDI-FQEVSTJZSA-N
• XLogP: 5.94
• TPSA: 59.73 Ų
• 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	5.94
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (2-methyl-5-phenyl-1,3-thiazol-4-yl)-[(2S)-2-[[8-(2,2,2-trifluoroethoxy)imidazo[1,2-a]pyridin-2-yl]methyl]piperidin-1-yl]methanone?

The IUPAC name of (2-methyl-5-phenyl-1,3-thiazol-4-yl)-[(2S)-2-[[8-(2,2,2-trifluoroethoxy)imidazo[1,2-a]pyridin-2-yl]methyl]piperidin-1-yl]methanone (CID 25164944) is (2-methyl-5-phenyl-1,3-thiazol-4-yl)-[(2S)-2-[[8-(2,2,2-trifluoroethoxy)imidazo[1,2-a]pyridin-2-yl]methyl]piperidin-1-yl]methanone.

What is the SMILES notation for (2-methyl-5-phenyl-1,3-thiazol-4-yl)-[(2S)-2-[[8-(2,2,2-trifluoroethoxy)imidazo[1,2-a]pyridin-2-yl]methyl]piperidin-1-yl]methanone?

The canonical SMILES for (2-methyl-5-phenyl-1,3-thiazol-4-yl)-[(2S)-2-[[8-(2,2,2-trifluoroethoxy)imidazo[1,2-a]pyridin-2-yl]methyl]piperidin-1-yl]methanone is Cc1nc(C(=O)N2CCCC[C@H]2Cc2cn3cccc(OCC(F)(F)F)c3n2)c(-c2ccccc2)s1.

What is the InChIKey of (2-methyl-5-phenyl-1,3-thiazol-4-yl)-[(2S)-2-[[8-(2,2,2-trifluoroethoxy)imidazo[1,2-a]pyridin-2-yl]methyl]piperidin-1-yl]methanone?

The InChIKey is NJQVFSKVZKKHDI-FQEVSTJZSA-N. The full InChI is InChI=1S/C26H25F3N4O2S/c1-17-30-22(23(36-17)18-8-3-2-4-9-18)25(34)33-13-6-5-10-20(33)14-19-15-32-12-7-11-21(24(32)31-19)35-16-26(27,28)29/h2-4,7-9,11-12,15,20H,5-6,10,13-14,16H2,1H3/t20-/m0/s1.

What are the key properties of (2-methyl-5-phenyl-1,3-thiazol-4-yl)-[(2S)-2-[[8-(2,2,2-trifluoroethoxy)imidazo[1,2-a]pyridin-2-yl]methyl]piperidin-1-yl]methanone?

(2-methyl-5-phenyl-1,3-thiazol-4-yl)-[(2S)-2-[[8-(2,2,2-trifluoroethoxy)imidazo[1,2-a]pyridin-2-yl]methyl]piperidin-1-yl]methanone has a molecular weight of 514.57 g/mol, XLogP of 5.94, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2-methyl-5-phenyl-1,3-thiazol-4-yl)-[(2S)-2-[[8-(2,2,2-trifluoroethoxy)imidazo[1,2-a]pyridin-2-yl]methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 25164944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).