N-[(2-chloro-6-phenoxyphenyl)methyl]-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide;N-[(2,4-dichloro-6-methylphenyl)methyl]-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide;N-[(1S)-1-(4-methylphenyl)ethyl]-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide;N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide;N-(thiophen-2-ylmethyl)-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide

C115H99Cl3F15N15O21S6 — CID 173062349

About N-[(2-chloro-6-phenoxyphenyl)methyl]-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide;N-[(2,4-dichloro-6-methylphenyl)methyl]-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide;N-[(1S)-1-(4-methylphenyl)ethyl]-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide;N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide;N-(thiophen-2-ylmethyl)-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide

N-[(2-chloro-6-phenoxyphenyl)methyl]-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide;N-[(2,4-dichloro-6-methylphenyl)methyl]-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide;N-[(1S)-1-(4-methylphenyl)ethyl]-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide;N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide;N-(thiophen-2-ylmethyl)-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide (PubChem CID 173062349) has the molecular formula C115H99Cl3F15N15O21S6 and a molecular weight of 2610.87 g/mol. Its IUPAC name is N-[(2-chloro-6-phenoxyphenyl)methyl]-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide;N-[(2,4-dichloro-6-methylphenyl)methyl]-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide;N-[(1S)-1-(4-methylphenyl)ethyl]-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide;N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide;N-(thiophen-2-ylmethyl)-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[(2-chloro-6-phenoxyphenyl)methyl]-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide;N-[(2,4-dichloro-6-methylphenyl)methyl]-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide;N-[(1S)-1-(4-methylphenyl)ethyl]-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide;N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide;N-(thiophen-2-ylmethyl)-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide
• PubChem CID: 173062349
• Molecular Formula: C115H99Cl3F15N15O21S6
• Molecular Weight: 2610.87 g/mol
• Exact Mass: 2607.43
• IUPAC Name: N-[(2-chloro-6-phenoxyphenyl)methyl]-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide;N-[(2,4-dichloro-6-methylphenyl)methyl]-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide;N-[(1S)-1-(4-methylphenyl)ethyl]-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide;N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide;N-(thiophen-2-ylmethyl)-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide
• SMILES: Cc1cc(Cl)cc(Cl)c1CNC(=O)c1csc(CNC(=O)COc2ccc(OC(F)(F)F)cc2)n1.Cc1ccc([C@H](C)NC(=O)c2csc(CNC(=O)COc3ccc(OC(F)(F)F)cc3)n2)cc1.O=C(COc1ccc(OC(F)(F)F)cc1)NCc1nc(C(=O)NCc2c(Cl)cccc2Oc2ccccc2)cs1.O=C(COc1ccc(OC(F)(F)F)cc1)NCc1nc(C(=O)NCc2cccs2)cs1.O=C(COc1ccc(OC(F)(F)F)cc1)NCc1nc(C(=O)N[C@@H]2CCCc3ccccc32)cs1
• InChI: InChI=1S/C27H21ClF3N3O5S.C24H22F3N3O4S.C23H22F3N3O4S.C22H18Cl2F3N3O4S.C19H16F3N3O4S2/c28-21-7-4-8-23(38-18-5-2-1-3-6-18)20(21)13-33-26(36)22-16-40-25(34-22)14-32-24(35)15-37-17-9-11-19(12-10-17)39-27(29,30)31;25-24(26,27)34-17-10-8-16(9-11-17)33-13-21(31)28-12-22-29-20(14-35-22)23(32)30-19-7-3-5-15-4-1-2-6-18(15)19;1-14-3-5-16(6-4-14)15(2)28-22(31)19-13-34-21(29-19)11-27-20(30)12-32-17-7-9-18(10-8-17)33-23(24,25)26;1-12-6-13(23)7-17(24)16(12)8-29-21(32)18-11-35-20(30-18)9-28-19(31)10-33-14-2-4-15(5-3-14)34-22(25,26)27;20-19(21,22)29-13-5-3-12(4-6-13)28-10-16(26)23-9-17-25-15(11-31-17)18(27)24-8-14-2-1-7-30-14/h1-12,16H,13-15H2,(H,32,35)(H,33,36);1-2,4,6,8-11,14,19H,3,5,7,12-13H2,(H,28,31)(H,30,32);3-10,13,15H,11-12H2,1-2H3,(H,27,30)(H,28,31);2-7,11H,8-10H2,1H3,(H,28,31)(H,29,32);1-7,11H,8-10H2,(H,23,26)(H,24,27)/t;19-;15-;;/m.10../s1
• InChIKey: HMNBFJJUOWSQBW-AIIHUDSWSA-N
• XLogP: 24.20
• TPSA: 456.98 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 32
• Rotatable Bonds: 46
• Heavy Atoms: 175
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2610.87
LogP ≤ 5	24.20
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	32

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-phenoxyphenyl)methyl]-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide;N-[(2,4-dichloro-6-methylphenyl)methyl]-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide;N-[(1S)-1-(4-methylphenyl)ethyl]-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide;N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide;N-(thiophen-2-ylmethyl)-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide?

The IUPAC name of N-[(2-chloro-6-phenoxyphenyl)methyl]-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide;N-[(2,4-dichloro-6-methylphenyl)methyl]-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide;N-[(1S)-1-(4-methylphenyl)ethyl]-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide;N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide;N-(thiophen-2-ylmethyl)-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide (CID 173062349) is N-[(2-chloro-6-phenoxyphenyl)methyl]-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide;N-[(2,4-dichloro-6-methylphenyl)methyl]-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide;N-[(1S)-1-(4-methylphenyl)ethyl]-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide;N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide;N-(thiophen-2-ylmethyl)-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide.

What is the SMILES notation for N-[(2-chloro-6-phenoxyphenyl)methyl]-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide;N-[(2,4-dichloro-6-methylphenyl)methyl]-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide;N-[(1S)-1-(4-methylphenyl)ethyl]-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide;N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide;N-(thiophen-2-ylmethyl)-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide?

The canonical SMILES for N-[(2-chloro-6-phenoxyphenyl)methyl]-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide;N-[(2,4-dichloro-6-methylphenyl)methyl]-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide;N-[(1S)-1-(4-methylphenyl)ethyl]-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide;N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide;N-(thiophen-2-ylmethyl)-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide is Cc1cc(Cl)cc(Cl)c1CNC(=O)c1csc(CNC(=O)COc2ccc(OC(F)(F)F)cc2)n1.Cc1ccc([C@H](C)NC(=O)c2csc(CNC(=O)COc3ccc(OC(F)(F)F)cc3)n2)cc1.O=C(COc1ccc(OC(F)(F)F)cc1)NCc1nc(C(=O)NCc2c(Cl)cccc2Oc2ccccc2)cs1.O=C(COc1ccc(OC(F)(F)F)cc1)NCc1nc(C(=O)NCc2cccs2)cs1.O=C(COc1ccc(OC(F)(F)F)cc1)NCc1nc(C(=O)N[C@@H]2CCCc3ccccc32)cs1.

What is the InChIKey of N-[(2-chloro-6-phenoxyphenyl)methyl]-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide;N-[(2,4-dichloro-6-methylphenyl)methyl]-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide;N-[(1S)-1-(4-methylphenyl)ethyl]-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide;N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide;N-(thiophen-2-ylmethyl)-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide?

The InChIKey is HMNBFJJUOWSQBW-AIIHUDSWSA-N. The full InChI is InChI=1S/C27H21ClF3N3O5S.C24H22F3N3O4S.C23H22F3N3O4S.C22H18Cl2F3N3O4S.C19H16F3N3O4S2/c28-21-7-4-8-23(38-18-5-2-1-3-6-18)20(21)13-33-26(36)22-16-40-25(34-22)14-32-24(35)15-37-17-9-11-19(12-10-17)39-27(29,30)31;25-24(26,27)34-17-10-8-16(9-11-17)33-13-21(31)28-12-22-29-20(14-35-22)23(32)30-19-7-3-5-15-4-1-2-6-18(15)19;1-14-3-5-16(6-4-14)15(2)28-22(31)19-13-34-21(29-19)11-27-20(30)12-32-17-7-9-18(10-8-17)33-23(24,25)26;1-12-6-13(23)7-17(24)16(12)8-29-21(32)18-11-35-20(30-18)9-28-19(31)10-33-14-2-4-15(5-3-14)34-22(25,26)27;20-19(21,22)29-13-5-3-12(4-6-13)28-10-16(26)23-9-17-25-15(11-31-17)18(27)24-8-14-2-1-7-30-14/h1-12,16H,13-15H2,(H,32,35)(H,33,36);1-2,4,6,8-11,14,19H,3,5,7,12-13H2,(H,28,31)(H,30,32);3-10,13,15H,11-12H2,1-2H3,(H,27,30)(H,28,31);2-7,11H,8-10H2,1H3,(H,28,31)(H,29,32);1-7,11H,8-10H2,(H,23,26)(H,24,27)/t;19-;15-;;/m.10../s1.

What are the key properties of N-[(2-chloro-6-phenoxyphenyl)methyl]-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide;N-[(2,4-dichloro-6-methylphenyl)methyl]-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide;N-[(1S)-1-(4-methylphenyl)ethyl]-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide;N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide;N-(thiophen-2-ylmethyl)-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide?

N-[(2-chloro-6-phenoxyphenyl)methyl]-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide;N-[(2,4-dichloro-6-methylphenyl)methyl]-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide;N-[(1S)-1-(4-methylphenyl)ethyl]-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide;N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide;N-(thiophen-2-ylmethyl)-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 2610.87 g/mol, XLogP of 24.20, 46 rotatable bonds, 10 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2-chloro-6-phenoxyphenyl)methyl]-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide;N-[(2,4-dichloro-6-methylphenyl)methyl]-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide;N-[(1S)-1-(4-methylphenyl)ethyl]-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide;N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide;N-(thiophen-2-ylmethyl)-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 173062349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).