N-[[4-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carbonyl]-1,3-thiazol-2-yl]methyl]-2-[4-(trifluoromethoxy)phenoxy]acetamide;N-[(1S)-1-cyclohexylethyl]-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-oxazole-4-carboxamide;N-(1-methoxypropan-2-yl)-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide;N-(3-morpholin-4-ylpropyl)-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide;N-(oxolan-2-ylmethyl)-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide

C103H117F15N16O24S4 — CID 173062999

About N-[[4-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carbonyl]-1,3-thiazol-2-yl]methyl]-2-[4-(trifluoromethoxy)phenoxy]acetamide;N-[(1S)-1-cyclohexylethyl]-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-oxazole-4-carboxamide;N-(1-methoxypropan-2-yl)-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide;N-(3-morpholin-4-ylpropyl)-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide;N-(oxolan-2-ylmethyl)-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide

N-[[4-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carbonyl]-1,3-thiazol-2-yl]methyl]-2-[4-(trifluoromethoxy)phenoxy]acetamide;N-[(1S)-1-cyclohexylethyl]-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-oxazole-4-carboxamide;N-(1-methoxypropan-2-yl)-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide;N-(3-morpholin-4-ylpropyl)-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide;N-(oxolan-2-ylmethyl)-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide (PubChem CID 173062999) has the molecular formula C103H117F15N16O24S4 and a molecular weight of 2376.39 g/mol. Its IUPAC name is N-[[4-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carbonyl]-1,3-thiazol-2-yl]methyl]-2-[4-(trifluoromethoxy)phenoxy]acetamide;N-[(1S)-1-cyclohexylethyl]-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-oxazole-4-carboxamide;N-(1-methoxypropan-2-yl)-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide;N-(3-morpholin-4-ylpropyl)-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide;N-(oxolan-2-ylmethyl)-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[[4-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carbonyl]-1,3-thiazol-2-yl]methyl]-2-[4-(trifluoromethoxy)phenoxy]acetamide;N-[(1S)-1-cyclohexylethyl]-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-oxazole-4-carboxamide;N-(1-methoxypropan-2-yl)-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide;N-(3-morpholin-4-ylpropyl)-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide;N-(oxolan-2-ylmethyl)-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide
• PubChem CID: 173062999
• Molecular Formula: C103H117F15N16O24S4
• Molecular Weight: 2376.39 g/mol
• Exact Mass: 2374.71
• IUPAC Name: N-[[4-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carbonyl]-1,3-thiazol-2-yl]methyl]-2-[4-(trifluoromethoxy)phenoxy]acetamide;N-[(1S)-1-cyclohexylethyl]-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-oxazole-4-carboxamide;N-(1-methoxypropan-2-yl)-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide;N-(3-morpholin-4-ylpropyl)-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide;N-(oxolan-2-ylmethyl)-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide
• SMILES: COCC(C)NC(=O)c1csc(CNC(=O)COc2ccc(OC(F)(F)F)cc2)n1.C[C@H](NC(=O)c1coc(CNC(=O)COc2ccc(OC(F)(F)F)cc2)n1)C1CCCCC1.O=C(COc1ccc(OC(F)(F)F)cc1)NCc1nc(C(=O)N2CC[C@H]3CCCC[C@@H]3C2)cs1.O=C(COc1ccc(OC(F)(F)F)cc1)NCc1nc(C(=O)NCC2CCCO2)cs1.O=C(COc1ccc(OC(F)(F)F)cc1)NCc1nc(C(=O)NCCCN2CCOCC2)cs1
• InChI: InChI=1S/C23H26F3N3O4S.C22H26F3N3O5.C21H25F3N4O5S.C19H20F3N3O5S.C18H20F3N3O5S/c24-23(25,26)33-18-7-5-17(6-8-18)32-13-20(30)27-11-21-28-19(14-34-21)22(31)29-10-9-15-3-1-2-4-16(15)12-29;1-14(15-5-3-2-4-6-15)27-21(30)18-12-32-20(28-18)11-26-19(29)13-31-16-7-9-17(10-8-16)33-22(23,24)25;22-21(23,24)33-16-4-2-15(3-5-16)32-13-18(29)26-12-19-27-17(14-34-19)20(30)25-6-1-7-28-8-10-31-11-9-28;20-19(21,22)30-13-5-3-12(4-6-13)29-10-16(26)23-9-17-25-15(11-31-17)18(27)24-8-14-2-1-7-28-14;1-11(8-27-2)23-17(26)14-10-30-16(24-14)7-22-15(25)9-28-12-3-5-13(6-4-12)29-18(19,20)21/h5-8,14-16H,1-4,9-13H2,(H,27,30);7-10,12,14-15H,2-6,11,13H2,1H3,(H,26,29)(H,27,30);2-5,14H,1,6-13H2,(H,25,30)(H,26,29);3-6,11,14H,1-2,7-10H2,(H,23,26)(H,24,27);3-6,10-11H,7-9H2,1-2H3,(H,22,25)(H,23,26)/t15-,16-;14-;;;/m10.../s1
• InChIKey: ZBJVXNBTELRMSO-WMNDEJOISA-N
• XLogP: 15.69
• TPSA: 483.03 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 34
• Rotatable Bonds: 46
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2376.39
LogP ≤ 5	15.69
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carbonyl]-1,3-thiazol-2-yl]methyl]-2-[4-(trifluoromethoxy)phenoxy]acetamide;N-[(1S)-1-cyclohexylethyl]-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-oxazole-4-carboxamide;N-(1-methoxypropan-2-yl)-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide;N-(3-morpholin-4-ylpropyl)-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide;N-(oxolan-2-ylmethyl)-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide?

The IUPAC name of N-[[4-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carbonyl]-1,3-thiazol-2-yl]methyl]-2-[4-(trifluoromethoxy)phenoxy]acetamide;N-[(1S)-1-cyclohexylethyl]-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-oxazole-4-carboxamide;N-(1-methoxypropan-2-yl)-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide;N-(3-morpholin-4-ylpropyl)-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide;N-(oxolan-2-ylmethyl)-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide (CID 173062999) is N-[[4-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carbonyl]-1,3-thiazol-2-yl]methyl]-2-[4-(trifluoromethoxy)phenoxy]acetamide;N-[(1S)-1-cyclohexylethyl]-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-oxazole-4-carboxamide;N-(1-methoxypropan-2-yl)-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide;N-(3-morpholin-4-ylpropyl)-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide;N-(oxolan-2-ylmethyl)-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide.

What is the SMILES notation for N-[[4-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carbonyl]-1,3-thiazol-2-yl]methyl]-2-[4-(trifluoromethoxy)phenoxy]acetamide;N-[(1S)-1-cyclohexylethyl]-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-oxazole-4-carboxamide;N-(1-methoxypropan-2-yl)-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide;N-(3-morpholin-4-ylpropyl)-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide;N-(oxolan-2-ylmethyl)-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide?

The canonical SMILES for N-[[4-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carbonyl]-1,3-thiazol-2-yl]methyl]-2-[4-(trifluoromethoxy)phenoxy]acetamide;N-[(1S)-1-cyclohexylethyl]-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-oxazole-4-carboxamide;N-(1-methoxypropan-2-yl)-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide;N-(3-morpholin-4-ylpropyl)-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide;N-(oxolan-2-ylmethyl)-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide is COCC(C)NC(=O)c1csc(CNC(=O)COc2ccc(OC(F)(F)F)cc2)n1.C[C@H](NC(=O)c1coc(CNC(=O)COc2ccc(OC(F)(F)F)cc2)n1)C1CCCCC1.O=C(COc1ccc(OC(F)(F)F)cc1)NCc1nc(C(=O)N2CC[C@H]3CCCC[C@@H]3C2)cs1.O=C(COc1ccc(OC(F)(F)F)cc1)NCc1nc(C(=O)NCC2CCCO2)cs1.O=C(COc1ccc(OC(F)(F)F)cc1)NCc1nc(C(=O)NCCCN2CCOCC2)cs1.

What is the InChIKey of N-[[4-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carbonyl]-1,3-thiazol-2-yl]methyl]-2-[4-(trifluoromethoxy)phenoxy]acetamide;N-[(1S)-1-cyclohexylethyl]-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-oxazole-4-carboxamide;N-(1-methoxypropan-2-yl)-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide;N-(3-morpholin-4-ylpropyl)-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide;N-(oxolan-2-ylmethyl)-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide?

The InChIKey is ZBJVXNBTELRMSO-WMNDEJOISA-N. The full InChI is InChI=1S/C23H26F3N3O4S.C22H26F3N3O5.C21H25F3N4O5S.C19H20F3N3O5S.C18H20F3N3O5S/c24-23(25,26)33-18-7-5-17(6-8-18)32-13-20(30)27-11-21-28-19(14-34-21)22(31)29-10-9-15-3-1-2-4-16(15)12-29;1-14(15-5-3-2-4-6-15)27-21(30)18-12-32-20(28-18)11-26-19(29)13-31-16-7-9-17(10-8-16)33-22(23,24)25;22-21(23,24)33-16-4-2-15(3-5-16)32-13-18(29)26-12-19-27-17(14-34-19)20(30)25-6-1-7-28-8-10-31-11-9-28;20-19(21,22)30-13-5-3-12(4-6-13)29-10-16(26)23-9-17-25-15(11-31-17)18(27)24-8-14-2-1-7-28-14;1-11(8-27-2)23-17(26)14-10-30-16(24-14)7-22-15(25)9-28-12-3-5-13(6-4-12)29-18(19,20)21/h5-8,14-16H,1-4,9-13H2,(H,27,30);7-10,12,14-15H,2-6,11,13H2,1H3,(H,26,29)(H,27,30);2-5,14H,1,6-13H2,(H,25,30)(H,26,29);3-6,11,14H,1-2,7-10H2,(H,23,26)(H,24,27);3-6,10-11H,7-9H2,1-2H3,(H,22,25)(H,23,26)/t15-,16-;14-;;;/m10.../s1.

What are the key properties of N-[[4-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carbonyl]-1,3-thiazol-2-yl]methyl]-2-[4-(trifluoromethoxy)phenoxy]acetamide;N-[(1S)-1-cyclohexylethyl]-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-oxazole-4-carboxamide;N-(1-methoxypropan-2-yl)-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide;N-(3-morpholin-4-ylpropyl)-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide;N-(oxolan-2-ylmethyl)-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide?

N-[[4-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carbonyl]-1,3-thiazol-2-yl]methyl]-2-[4-(trifluoromethoxy)phenoxy]acetamide;N-[(1S)-1-cyclohexylethyl]-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-oxazole-4-carboxamide;N-(1-methoxypropan-2-yl)-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide;N-(3-morpholin-4-ylpropyl)-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide;N-(oxolan-2-ylmethyl)-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 2376.39 g/mol, XLogP of 15.69, 46 rotatable bonds, 9 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[4-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carbonyl]-1,3-thiazol-2-yl]methyl]-2-[4-(trifluoromethoxy)phenoxy]acetamide;N-[(1S)-1-cyclohexylethyl]-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-oxazole-4-carboxamide;N-(1-methoxypropan-2-yl)-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide;N-(3-morpholin-4-ylpropyl)-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide;N-(oxolan-2-ylmethyl)-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 173062999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).