N-[1-tert-butyl-1-[2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carbonyl]piperidin-1-ium-4-yl]carbamate;N-[(2,3-dimethoxyphenyl)methyl]-2-[[(2-naphthalen-2-ylacetyl)amino]methyl]-1,3-thiazole-4-carboxamide;N-[[4-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-1,3-thiazol-2-yl]methyl]-2-[4-(trifluoromethoxy)phenoxy]acetamide

C70H76F6N10O15S3 — CID 87969685

About N-[1-tert-butyl-1-[2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carbonyl]piperidin-1-ium-4-yl]carbamate;N-[(2,3-dimethoxyphenyl)methyl]-2-[[(2-naphthalen-2-ylacetyl)amino]methyl]-1,3-thiazole-4-carboxamide;N-[[4-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-1,3-thiazol-2-yl]methyl]-2-[4-(trifluoromethoxy)phenoxy]acetamide

N-[1-tert-butyl-1-[2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carbonyl]piperidin-1-ium-4-yl]carbamate;N-[(2,3-dimethoxyphenyl)methyl]-2-[[(2-naphthalen-2-ylacetyl)amino]methyl]-1,3-thiazole-4-carboxamide;N-[[4-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-1,3-thiazol-2-yl]methyl]-2-[4-(trifluoromethoxy)phenoxy]acetamide (PubChem CID 87969685) has the molecular formula C70H76F6N10O15S3 and a molecular weight of 1507.62 g/mol. Its IUPAC name is N-[1-tert-butyl-1-[2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carbonyl]piperidin-1-ium-4-yl]carbamate;N-[(2,3-dimethoxyphenyl)methyl]-2-[[(2-naphthalen-2-ylacetyl)amino]methyl]-1,3-thiazole-4-carboxamide;N-[[4-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-1,3-thiazol-2-yl]methyl]-2-[4-(trifluoromethoxy)phenoxy]acetamide.

Molecular Properties

• Compound Name: N-[1-tert-butyl-1-[2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carbonyl]piperidin-1-ium-4-yl]carbamate;N-[(2,3-dimethoxyphenyl)methyl]-2-[[(2-naphthalen-2-ylacetyl)amino]methyl]-1,3-thiazole-4-carboxamide;N-[[4-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-1,3-thiazol-2-yl]methyl]-2-[4-(trifluoromethoxy)phenoxy]acetamide
• PubChem CID: 87969685
• Molecular Formula: C70H76F6N10O15S3
• Molecular Weight: 1507.62 g/mol
• Exact Mass: 1506.46
• IUPAC Name: N-[1-tert-butyl-1-[2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carbonyl]piperidin-1-ium-4-yl]carbamate;N-[(2,3-dimethoxyphenyl)methyl]-2-[[(2-naphthalen-2-ylacetyl)amino]methyl]-1,3-thiazole-4-carboxamide;N-[[4-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-1,3-thiazol-2-yl]methyl]-2-[4-(trifluoromethoxy)phenoxy]acetamide
• SMILES: CC(C)(C)[N+]1(C(=O)c2csc(CNC(=O)COc3ccc(OC(F)(F)F)cc3)n2)CCC(NC(=O)[O-])CC1.COc1cccc(CNC(=O)c2csc(CNC(=O)Cc3ccc4ccccc4c3)n2)c1OC.C[C@@H]1CN(C(=O)c2csc(CNC(=O)COc3ccc(OC(F)(F)F)cc3)n2)C[C@H](C)O1
• InChI: InChI=1S/C26H25N3O4S.C24H29F3N4O6S.C20H22F3N3O5S/c1-32-22-9-5-8-20(25(22)33-2)14-28-26(31)21-16-34-24(29-21)15-27-23(30)13-17-10-11-18-6-3-4-7-19(18)12-17;1-23(2,3)31(10-8-15(9-11-31)29-22(34)35)21(33)18-14-38-20(30-18)12-28-19(32)13-36-16-4-6-17(7-5-16)37-24(25,26)27;1-12-8-26(9-13(2)30-12)19(28)16-11-32-18(25-16)7-24-17(27)10-29-14-3-5-15(6-4-14)31-20(21,22)23/h3-12,16H,13-15H2,1-2H3,(H,27,30)(H,28,31);4-7,14-15,29H,8-13H2,1-3H3,(H-,28,32,34,35);3-6,11-13H,7-10H2,1-2H3,(H,24,27)/t;;12-,13+
• InChIKey: WPOBVCNSDAVEQW-RLDDCPFYSA-N
• XLogP: 9.68
• TPSA: 309.22 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 21
• Rotatable Bonds: 24
• Heavy Atoms: 104
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1507.62
LogP ≤ 5	9.68
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[1-tert-butyl-1-[2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carbonyl]piperidin-1-ium-4-yl]carbamate;N-[(2,3-dimethoxyphenyl)methyl]-2-[[(2-naphthalen-2-ylacetyl)amino]methyl]-1,3-thiazole-4-carboxamide;N-[[4-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-1,3-thiazol-2-yl]methyl]-2-[4-(trifluoromethoxy)phenoxy]acetamide?

The IUPAC name of N-[1-tert-butyl-1-[2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carbonyl]piperidin-1-ium-4-yl]carbamate;N-[(2,3-dimethoxyphenyl)methyl]-2-[[(2-naphthalen-2-ylacetyl)amino]methyl]-1,3-thiazole-4-carboxamide;N-[[4-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-1,3-thiazol-2-yl]methyl]-2-[4-(trifluoromethoxy)phenoxy]acetamide (CID 87969685) is N-[1-tert-butyl-1-[2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carbonyl]piperidin-1-ium-4-yl]carbamate;N-[(2,3-dimethoxyphenyl)methyl]-2-[[(2-naphthalen-2-ylacetyl)amino]methyl]-1,3-thiazole-4-carboxamide;N-[[4-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-1,3-thiazol-2-yl]methyl]-2-[4-(trifluoromethoxy)phenoxy]acetamide.

What is the SMILES notation for N-[1-tert-butyl-1-[2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carbonyl]piperidin-1-ium-4-yl]carbamate;N-[(2,3-dimethoxyphenyl)methyl]-2-[[(2-naphthalen-2-ylacetyl)amino]methyl]-1,3-thiazole-4-carboxamide;N-[[4-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-1,3-thiazol-2-yl]methyl]-2-[4-(trifluoromethoxy)phenoxy]acetamide?

The canonical SMILES for N-[1-tert-butyl-1-[2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carbonyl]piperidin-1-ium-4-yl]carbamate;N-[(2,3-dimethoxyphenyl)methyl]-2-[[(2-naphthalen-2-ylacetyl)amino]methyl]-1,3-thiazole-4-carboxamide;N-[[4-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-1,3-thiazol-2-yl]methyl]-2-[4-(trifluoromethoxy)phenoxy]acetamide is CC(C)(C)[N+]1(C(=O)c2csc(CNC(=O)COc3ccc(OC(F)(F)F)cc3)n2)CCC(NC(=O)[O-])CC1.COc1cccc(CNC(=O)c2csc(CNC(=O)Cc3ccc4ccccc4c3)n2)c1OC.C[C@@H]1CN(C(=O)c2csc(CNC(=O)COc3ccc(OC(F)(F)F)cc3)n2)C[C@H](C)O1.

What is the InChIKey of N-[1-tert-butyl-1-[2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carbonyl]piperidin-1-ium-4-yl]carbamate;N-[(2,3-dimethoxyphenyl)methyl]-2-[[(2-naphthalen-2-ylacetyl)amino]methyl]-1,3-thiazole-4-carboxamide;N-[[4-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-1,3-thiazol-2-yl]methyl]-2-[4-(trifluoromethoxy)phenoxy]acetamide?

The InChIKey is WPOBVCNSDAVEQW-RLDDCPFYSA-N. The full InChI is InChI=1S/C26H25N3O4S.C24H29F3N4O6S.C20H22F3N3O5S/c1-32-22-9-5-8-20(25(22)33-2)14-28-26(31)21-16-34-24(29-21)15-27-23(30)13-17-10-11-18-6-3-4-7-19(18)12-17;1-23(2,3)31(10-8-15(9-11-31)29-22(34)35)21(33)18-14-38-20(30-18)12-28-19(32)13-36-16-4-6-17(7-5-16)37-24(25,26)27;1-12-8-26(9-13(2)30-12)19(28)16-11-32-18(25-16)7-24-17(27)10-29-14-3-5-15(6-4-14)31-20(21,22)23/h3-12,16H,13-15H2,1-2H3,(H,27,30)(H,28,31);4-7,14-15,29H,8-13H2,1-3H3,(H-,28,32,34,35);3-6,11-13H,7-10H2,1-2H3,(H,24,27)/t;;12-,13+.

What are the key properties of N-[1-tert-butyl-1-[2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carbonyl]piperidin-1-ium-4-yl]carbamate;N-[(2,3-dimethoxyphenyl)methyl]-2-[[(2-naphthalen-2-ylacetyl)amino]methyl]-1,3-thiazole-4-carboxamide;N-[[4-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-1,3-thiazol-2-yl]methyl]-2-[4-(trifluoromethoxy)phenoxy]acetamide?

N-[1-tert-butyl-1-[2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carbonyl]piperidin-1-ium-4-yl]carbamate;N-[(2,3-dimethoxyphenyl)methyl]-2-[[(2-naphthalen-2-ylacetyl)amino]methyl]-1,3-thiazole-4-carboxamide;N-[[4-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-1,3-thiazol-2-yl]methyl]-2-[4-(trifluoromethoxy)phenoxy]acetamide has a molecular weight of 1507.62 g/mol, XLogP of 9.68, 24 rotatable bonds, 5 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-tert-butyl-1-[2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carbonyl]piperidin-1-ium-4-yl]carbamate;N-[(2,3-dimethoxyphenyl)methyl]-2-[[(2-naphthalen-2-ylacetyl)amino]methyl]-1,3-thiazole-4-carboxamide;N-[[4-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-1,3-thiazol-2-yl]methyl]-2-[4-(trifluoromethoxy)phenoxy]acetamide is sourced from PubChem (CID 87969685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).