tert-butyl N-(4-bromophenyl)-N-[4-(4-imidazol-1-ylphenyl)-1,3-thiazol-2-yl]carbamate;methyl N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-N-(4-octoxyphenyl)carbamate;methyl N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-N-[4-pentoxy-3-(trifluoromethyl)phenyl]carbamate;methyl N-(3-fluoro-4-pentoxyphenyl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]carbamate;methyl N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-(4-octoxyphenyl)carbamate;methyl N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-[4-pentoxy-3-(trifluoromethyl)phenyl]carbamate

C141H143BrF14N14O17S6 — CID 162228969

About tert-butyl N-(4-bromophenyl)-N-[4-(4-imidazol-1-ylphenyl)-1,3-thiazol-2-yl]carbamate;methyl N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-N-(4-octoxyphenyl)carbamate;methyl N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-N-[4-pentoxy-3-(trifluoromethyl)phenyl]carbamate;methyl N-(3-fluoro-4-pentoxyphenyl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]carbamate;methyl N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-(4-octoxyphenyl)carbamate;methyl N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-[4-pentoxy-3-(trifluoromethyl)phenyl]carbamate

tert-butyl N-(4-bromophenyl)-N-[4-(4-imidazol-1-ylphenyl)-1,3-thiazol-2-yl]carbamate;methyl N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-N-(4-octoxyphenyl)carbamate;methyl N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-N-[4-pentoxy-3-(trifluoromethyl)phenyl]carbamate;methyl N-(3-fluoro-4-pentoxyphenyl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]carbamate;methyl N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-(4-octoxyphenyl)carbamate;methyl N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-[4-pentoxy-3-(trifluoromethyl)phenyl]carbamate (PubChem CID 162228969) has the molecular formula C141H143BrF14N14O17S6 and a molecular weight of 2844.05 g/mol. Its IUPAC name is tert-butyl N-(4-bromophenyl)-N-[4-(4-imidazol-1-ylphenyl)-1,3-thiazol-2-yl]carbamate;methyl N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-N-(4-octoxyphenyl)carbamate;methyl N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-N-[4-pentoxy-3-(trifluoromethyl)phenyl]carbamate;methyl N-(3-fluoro-4-pentoxyphenyl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]carbamate;methyl N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-(4-octoxyphenyl)carbamate;methyl N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-[4-pentoxy-3-(trifluoromethyl)phenyl]carbamate.

Molecular Properties

• Compound Name: tert-butyl N-(4-bromophenyl)-N-[4-(4-imidazol-1-ylphenyl)-1,3-thiazol-2-yl]carbamate;methyl N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-N-(4-octoxyphenyl)carbamate;methyl N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-N-[4-pentoxy-3-(trifluoromethyl)phenyl]carbamate;methyl N-(3-fluoro-4-pentoxyphenyl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]carbamate;methyl N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-(4-octoxyphenyl)carbamate;methyl N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-[4-pentoxy-3-(trifluoromethyl)phenyl]carbamate
• PubChem CID: 162228969
• Molecular Formula: C141H143BrF14N14O17S6
• Molecular Weight: 2844.05 g/mol
• Exact Mass: 2840.80
• IUPAC Name: tert-butyl N-(4-bromophenyl)-N-[4-(4-imidazol-1-ylphenyl)-1,3-thiazol-2-yl]carbamate;methyl N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-N-(4-octoxyphenyl)carbamate;methyl N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-N-[4-pentoxy-3-(trifluoromethyl)phenyl]carbamate;methyl N-(3-fluoro-4-pentoxyphenyl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]carbamate;methyl N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-(4-octoxyphenyl)carbamate;methyl N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-[4-pentoxy-3-(trifluoromethyl)phenyl]carbamate
• SMILES: CC(C)(C)OC(=O)N(c1ccc(Br)cc1)c1nc(-c2ccc(-n3ccnc3)cc2)cs1.CCCCCCCCOc1ccc(N(C(=O)OC)c2nc(-c3ccc(F)c(F)c3)cs2)cc1.CCCCCCCCOc1ccc(N(C(=O)OC)c2nc(-c3ccc(F)cc3)cs2)cc1.CCCCCOc1ccc(N(C(=O)OC)c2nc(-c3ccc(F)c(F)c3)cs2)cc1C(F)(F)F.CCCCCOc1ccc(N(C(=O)OC)c2nc(-c3ccc(F)cc3)cs2)cc1C(F)(F)F.CCCCCOc1ccc(N(C(=O)OC)c2nc(-c3ccc(F)cc3)cs2)cc1F
• InChI: InChI=1S/C25H28F2N2O3S.C25H29FN2O3S.C23H21BrN4O2S.C23H21F5N2O3S.C23H22F4N2O3S.C22H22F2N2O3S/c1-3-4-5-6-7-8-15-32-20-12-10-19(11-13-20)29(25(30)31-2)24-28-23(17-33-24)18-9-14-21(26)22(27)16-18;1-3-4-5-6-7-8-17-31-22-15-13-21(14-16-22)28(25(29)30-2)24-27-23(18-32-24)19-9-11-20(26)12-10-19;1-23(2,3)30-22(29)28(19-10-6-17(24)7-11-19)21-26-20(14-31-21)16-4-8-18(9-5-16)27-13-12-25-15-27;1-3-4-5-10-33-20-9-7-15(12-16(20)23(26,27)28)30(22(31)32-2)21-29-19(13-34-21)14-6-8-17(24)18(25)11-14;1-3-4-5-12-32-20-11-10-17(13-18(20)23(25,26)27)29(22(30)31-2)21-28-19(14-33-21)15-6-8-16(24)9-7-15;1-3-4-5-12-29-20-11-10-17(13-18(20)24)26(22(27)28-2)21-25-19(14-30-21)15-6-8-16(23)9-7-15/h9-14,16-17H,3-8,15H2,1-2H3;9-16,18H,3-8,17H2,1-2H3;4-15H,1-3H3;6-9,11-13H,3-5,10H2,1-2H3;6-11,13-14H,3-5,12H2,1-2H3;6-11,13-14H,3-5,12H2,1-2H3
• InChIKey: ZVDNSZMXTMYLLS-UHFFFAOYSA-N
• XLogP: 43.74
• TPSA: 318.55 Ų
• H-Bond Acceptors: 31
• Rotatable Bonds: 50
• Heavy Atoms: 193
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2844.05
LogP ≤ 5	43.74
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(4-bromophenyl)-N-[4-(4-imidazol-1-ylphenyl)-1,3-thiazol-2-yl]carbamate;methyl N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-N-(4-octoxyphenyl)carbamate;methyl N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-N-[4-pentoxy-3-(trifluoromethyl)phenyl]carbamate;methyl N-(3-fluoro-4-pentoxyphenyl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]carbamate;methyl N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-(4-octoxyphenyl)carbamate;methyl N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-[4-pentoxy-3-(trifluoromethyl)phenyl]carbamate?

The IUPAC name of tert-butyl N-(4-bromophenyl)-N-[4-(4-imidazol-1-ylphenyl)-1,3-thiazol-2-yl]carbamate;methyl N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-N-(4-octoxyphenyl)carbamate;methyl N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-N-[4-pentoxy-3-(trifluoromethyl)phenyl]carbamate;methyl N-(3-fluoro-4-pentoxyphenyl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]carbamate;methyl N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-(4-octoxyphenyl)carbamate;methyl N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-[4-pentoxy-3-(trifluoromethyl)phenyl]carbamate (CID 162228969) is tert-butyl N-(4-bromophenyl)-N-[4-(4-imidazol-1-ylphenyl)-1,3-thiazol-2-yl]carbamate;methyl N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-N-(4-octoxyphenyl)carbamate;methyl N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-N-[4-pentoxy-3-(trifluoromethyl)phenyl]carbamate;methyl N-(3-fluoro-4-pentoxyphenyl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]carbamate;methyl N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-(4-octoxyphenyl)carbamate;methyl N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-[4-pentoxy-3-(trifluoromethyl)phenyl]carbamate.

What is the SMILES notation for tert-butyl N-(4-bromophenyl)-N-[4-(4-imidazol-1-ylphenyl)-1,3-thiazol-2-yl]carbamate;methyl N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-N-(4-octoxyphenyl)carbamate;methyl N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-N-[4-pentoxy-3-(trifluoromethyl)phenyl]carbamate;methyl N-(3-fluoro-4-pentoxyphenyl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]carbamate;methyl N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-(4-octoxyphenyl)carbamate;methyl N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-[4-pentoxy-3-(trifluoromethyl)phenyl]carbamate?

The canonical SMILES for tert-butyl N-(4-bromophenyl)-N-[4-(4-imidazol-1-ylphenyl)-1,3-thiazol-2-yl]carbamate;methyl N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-N-(4-octoxyphenyl)carbamate;methyl N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-N-[4-pentoxy-3-(trifluoromethyl)phenyl]carbamate;methyl N-(3-fluoro-4-pentoxyphenyl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]carbamate;methyl N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-(4-octoxyphenyl)carbamate;methyl N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-[4-pentoxy-3-(trifluoromethyl)phenyl]carbamate is CC(C)(C)OC(=O)N(c1ccc(Br)cc1)c1nc(-c2ccc(-n3ccnc3)cc2)cs1.CCCCCCCCOc1ccc(N(C(=O)OC)c2nc(-c3ccc(F)c(F)c3)cs2)cc1.CCCCCCCCOc1ccc(N(C(=O)OC)c2nc(-c3ccc(F)cc3)cs2)cc1.CCCCCOc1ccc(N(C(=O)OC)c2nc(-c3ccc(F)c(F)c3)cs2)cc1C(F)(F)F.CCCCCOc1ccc(N(C(=O)OC)c2nc(-c3ccc(F)cc3)cs2)cc1C(F)(F)F.CCCCCOc1ccc(N(C(=O)OC)c2nc(-c3ccc(F)cc3)cs2)cc1F.

What is the InChIKey of tert-butyl N-(4-bromophenyl)-N-[4-(4-imidazol-1-ylphenyl)-1,3-thiazol-2-yl]carbamate;methyl N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-N-(4-octoxyphenyl)carbamate;methyl N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-N-[4-pentoxy-3-(trifluoromethyl)phenyl]carbamate;methyl N-(3-fluoro-4-pentoxyphenyl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]carbamate;methyl N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-(4-octoxyphenyl)carbamate;methyl N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-[4-pentoxy-3-(trifluoromethyl)phenyl]carbamate?

The InChIKey is ZVDNSZMXTMYLLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28F2N2O3S.C25H29FN2O3S.C23H21BrN4O2S.C23H21F5N2O3S.C23H22F4N2O3S.C22H22F2N2O3S/c1-3-4-5-6-7-8-15-32-20-12-10-19(11-13-20)29(25(30)31-2)24-28-23(17-33-24)18-9-14-21(26)22(27)16-18;1-3-4-5-6-7-8-17-31-22-15-13-21(14-16-22)28(25(29)30-2)24-27-23(18-32-24)19-9-11-20(26)12-10-19;1-23(2,3)30-22(29)28(19-10-6-17(24)7-11-19)21-26-20(14-31-21)16-4-8-18(9-5-16)27-13-12-25-15-27;1-3-4-5-10-33-20-9-7-15(12-16(20)23(26,27)28)30(22(31)32-2)21-29-19(13-34-21)14-6-8-17(24)18(25)11-14;1-3-4-5-12-32-20-11-10-17(13-18(20)23(25,26)27)29(22(30)31-2)21-28-19(14-33-21)15-6-8-16(24)9-7-15;1-3-4-5-12-29-20-11-10-17(13-18(20)24)26(22(27)28-2)21-25-19(14-30-21)15-6-8-16(23)9-7-15/h9-14,16-17H,3-8,15H2,1-2H3;9-16,18H,3-8,17H2,1-2H3;4-15H,1-3H3;6-9,11-13H,3-5,10H2,1-2H3;6-11,13-14H,3-5,12H2,1-2H3;6-11,13-14H,3-5,12H2,1-2H3.

What are the key properties of tert-butyl N-(4-bromophenyl)-N-[4-(4-imidazol-1-ylphenyl)-1,3-thiazol-2-yl]carbamate;methyl N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-N-(4-octoxyphenyl)carbamate;methyl N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-N-[4-pentoxy-3-(trifluoromethyl)phenyl]carbamate;methyl N-(3-fluoro-4-pentoxyphenyl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]carbamate;methyl N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-(4-octoxyphenyl)carbamate;methyl N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-[4-pentoxy-3-(trifluoromethyl)phenyl]carbamate?

tert-butyl N-(4-bromophenyl)-N-[4-(4-imidazol-1-ylphenyl)-1,3-thiazol-2-yl]carbamate;methyl N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-N-(4-octoxyphenyl)carbamate;methyl N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-N-[4-pentoxy-3-(trifluoromethyl)phenyl]carbamate;methyl N-(3-fluoro-4-pentoxyphenyl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]carbamate;methyl N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-(4-octoxyphenyl)carbamate;methyl N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-[4-pentoxy-3-(trifluoromethyl)phenyl]carbamate has a molecular weight of 2844.05 g/mol, XLogP of 43.74, 50 rotatable bonds, 0 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-(4-bromophenyl)-N-[4-(4-imidazol-1-ylphenyl)-1,3-thiazol-2-yl]carbamate;methyl N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-N-(4-octoxyphenyl)carbamate;methyl N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-N-[4-pentoxy-3-(trifluoromethyl)phenyl]carbamate;methyl N-(3-fluoro-4-pentoxyphenyl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]carbamate;methyl N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-(4-octoxyphenyl)carbamate;methyl N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-[4-pentoxy-3-(trifluoromethyl)phenyl]carbamate is sourced from PubChem (CID 162228969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).