1-[4-butoxy-3-(trifluoromethyl)phenyl]-1-(4-pyridin-3-yl-1,3-thiazol-2-yl)urea;bis(5-[2-(N-carbamoyl-4-heptoxyanilino)-1,3-thiazol-4-yl]-N,N-dimethylpyridine-2-carboxamide);1-[4-(cyclohexylmethoxy)-3-fluorophenyl]-1-(4-pyridin-3-yl-1,3-thiazol-2-yl)urea;3-cyclohexyl-1-(4-octoxyphenyl)-1-(4-pyridin-3-yl-1,3-thiazol-2-yl)urea;1-[4-(2-methylpropoxy)-3-(trifluoromethyl)phenyl]-1-(4-pyridin-3-yl-1,3-thiazol-2-yl)urea

C141H161F7N26O14S6 — CID 159168726

About 1-[4-butoxy-3-(trifluoromethyl)phenyl]-1-(4-pyridin-3-yl-1,3-thiazol-2-yl)urea;bis(5-[2-(N-carbamoyl-4-heptoxyanilino)-1,3-thiazol-4-yl]-N,N-dimethylpyridine-2-carboxamide);1-[4-(cyclohexylmethoxy)-3-fluorophenyl]-1-(4-pyridin-3-yl-1,3-thiazol-2-yl)urea;3-cyclohexyl-1-(4-octoxyphenyl)-1-(4-pyridin-3-yl-1,3-thiazol-2-yl)urea;1-[4-(2-methylpropoxy)-3-(trifluoromethyl)phenyl]-1-(4-pyridin-3-yl-1,3-thiazol-2-yl)urea

1-[4-butoxy-3-(trifluoromethyl)phenyl]-1-(4-pyridin-3-yl-1,3-thiazol-2-yl)urea;bis(5-[2-(N-carbamoyl-4-heptoxyanilino)-1,3-thiazol-4-yl]-N,N-dimethylpyridine-2-carboxamide);1-[4-(cyclohexylmethoxy)-3-fluorophenyl]-1-(4-pyridin-3-yl-1,3-thiazol-2-yl)urea;3-cyclohexyl-1-(4-octoxyphenyl)-1-(4-pyridin-3-yl-1,3-thiazol-2-yl)urea;1-[4-(2-methylpropoxy)-3-(trifluoromethyl)phenyl]-1-(4-pyridin-3-yl-1,3-thiazol-2-yl)urea (PubChem CID 159168726) has the molecular formula C141H161F7N26O14S6 and a molecular weight of 2769.39 g/mol. Its IUPAC name is 1-[4-butoxy-3-(trifluoromethyl)phenyl]-1-(4-pyridin-3-yl-1,3-thiazol-2-yl)urea;bis(5-[2-(N-carbamoyl-4-heptoxyanilino)-1,3-thiazol-4-yl]-N,N-dimethylpyridine-2-carboxamide);1-[4-(cyclohexylmethoxy)-3-fluorophenyl]-1-(4-pyridin-3-yl-1,3-thiazol-2-yl)urea;3-cyclohexyl-1-(4-octoxyphenyl)-1-(4-pyridin-3-yl-1,3-thiazol-2-yl)urea;1-[4-(2-methylpropoxy)-3-(trifluoromethyl)phenyl]-1-(4-pyridin-3-yl-1,3-thiazol-2-yl)urea.

Molecular Properties

• Compound Name: 1-[4-butoxy-3-(trifluoromethyl)phenyl]-1-(4-pyridin-3-yl-1,3-thiazol-2-yl)urea;bis(5-[2-(N-carbamoyl-4-heptoxyanilino)-1,3-thiazol-4-yl]-N,N-dimethylpyridine-2-carboxamide);1-[4-(cyclohexylmethoxy)-3-fluorophenyl]-1-(4-pyridin-3-yl-1,3-thiazol-2-yl)urea;3-cyclohexyl-1-(4-octoxyphenyl)-1-(4-pyridin-3-yl-1,3-thiazol-2-yl)urea;1-[4-(2-methylpropoxy)-3-(trifluoromethyl)phenyl]-1-(4-pyridin-3-yl-1,3-thiazol-2-yl)urea
• PubChem CID: 159168726
• Molecular Formula: C141H161F7N26O14S6
• Molecular Weight: 2769.39 g/mol
• Exact Mass: 2767.09
• IUPAC Name: 1-[4-butoxy-3-(trifluoromethyl)phenyl]-1-(4-pyridin-3-yl-1,3-thiazol-2-yl)urea;bis(5-[2-(N-carbamoyl-4-heptoxyanilino)-1,3-thiazol-4-yl]-N,N-dimethylpyridine-2-carboxamide);1-[4-(cyclohexylmethoxy)-3-fluorophenyl]-1-(4-pyridin-3-yl-1,3-thiazol-2-yl)urea;3-cyclohexyl-1-(4-octoxyphenyl)-1-(4-pyridin-3-yl-1,3-thiazol-2-yl)urea;1-[4-(2-methylpropoxy)-3-(trifluoromethyl)phenyl]-1-(4-pyridin-3-yl-1,3-thiazol-2-yl)urea
• SMILES: CC(C)COc1ccc(N(C(N)=O)c2nc(-c3cccnc3)cs2)cc1C(F)(F)F.CCCCCCCCOc1ccc(N(C(=O)NC2CCCCC2)c2nc(-c3cccnc3)cs2)cc1.CCCCCCCOc1ccc(N(C(N)=O)c2nc(-c3ccc(C(=O)N(C)C)nc3)cs2)cc1.CCCCCCCOc1ccc(N(C(N)=O)c2nc(-c3ccc(C(=O)N(C)C)nc3)cs2)cc1.CCCCOc1ccc(N(C(N)=O)c2nc(-c3cccnc3)cs2)cc1C(F)(F)F.NC(=O)N(c1ccc(OCC2CCCCC2)c(F)c1)c1nc(-c2cccnc2)cs1
• InChI: InChI=1S/C29H38N4O2S.2C25H31N5O3S.C22H23FN4O2S.2C20H19F3N4O2S/c1-2-3-4-5-6-10-20-35-26-17-15-25(16-18-26)33(28(34)31-24-13-8-7-9-14-24)29-32-27(22-36-29)23-12-11-19-30-21-23;2*1-4-5-6-7-8-15-33-20-12-10-19(11-13-20)30(24(26)32)25-28-22(17-34-25)18-9-14-21(27-16-18)23(31)29(2)3;23-18-11-17(8-9-20(18)29-13-15-5-2-1-3-6-15)27(21(24)28)22-26-19(14-30-22)16-7-4-10-25-12-16;1-12(2)10-29-17-6-5-14(8-15(17)20(21,22)23)27(18(24)28)19-26-16(11-30-19)13-4-3-7-25-9-13;1-2-3-9-29-17-7-6-14(10-15(17)20(21,22)23)27(18(24)28)19-26-16(12-30-19)13-5-4-8-25-11-13/h11-12,15-19,21-22,24H,2-10,13-14,20H2,1H3,(H,31,34);2*9-14,16-17H,4-8,15H2,1-3H3,(H2,26,32);4,7-12,14-15H,1-3,5-6,13H2,(H2,24,28);3-9,11-12H,10H2,1-2H3,(H2,24,28);4-8,10-12H,2-3,9H2,1H3,(H2,24,28)
• InChIKey: KLKIVBLQKVRTBM-UHFFFAOYSA-N
• XLogP: 35.69
• TPSA: 514.67 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 32
• Rotatable Bonds: 53
• Heavy Atoms: 194
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2769.39
LogP ≤ 5	35.69
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[4-butoxy-3-(trifluoromethyl)phenyl]-1-(4-pyridin-3-yl-1,3-thiazol-2-yl)urea;bis(5-[2-(N-carbamoyl-4-heptoxyanilino)-1,3-thiazol-4-yl]-N,N-dimethylpyridine-2-carboxamide);1-[4-(cyclohexylmethoxy)-3-fluorophenyl]-1-(4-pyridin-3-yl-1,3-thiazol-2-yl)urea;3-cyclohexyl-1-(4-octoxyphenyl)-1-(4-pyridin-3-yl-1,3-thiazol-2-yl)urea;1-[4-(2-methylpropoxy)-3-(trifluoromethyl)phenyl]-1-(4-pyridin-3-yl-1,3-thiazol-2-yl)urea?

The IUPAC name of 1-[4-butoxy-3-(trifluoromethyl)phenyl]-1-(4-pyridin-3-yl-1,3-thiazol-2-yl)urea;bis(5-[2-(N-carbamoyl-4-heptoxyanilino)-1,3-thiazol-4-yl]-N,N-dimethylpyridine-2-carboxamide);1-[4-(cyclohexylmethoxy)-3-fluorophenyl]-1-(4-pyridin-3-yl-1,3-thiazol-2-yl)urea;3-cyclohexyl-1-(4-octoxyphenyl)-1-(4-pyridin-3-yl-1,3-thiazol-2-yl)urea;1-[4-(2-methylpropoxy)-3-(trifluoromethyl)phenyl]-1-(4-pyridin-3-yl-1,3-thiazol-2-yl)urea (CID 159168726) is 1-[4-butoxy-3-(trifluoromethyl)phenyl]-1-(4-pyridin-3-yl-1,3-thiazol-2-yl)urea;bis(5-[2-(N-carbamoyl-4-heptoxyanilino)-1,3-thiazol-4-yl]-N,N-dimethylpyridine-2-carboxamide);1-[4-(cyclohexylmethoxy)-3-fluorophenyl]-1-(4-pyridin-3-yl-1,3-thiazol-2-yl)urea;3-cyclohexyl-1-(4-octoxyphenyl)-1-(4-pyridin-3-yl-1,3-thiazol-2-yl)urea;1-[4-(2-methylpropoxy)-3-(trifluoromethyl)phenyl]-1-(4-pyridin-3-yl-1,3-thiazol-2-yl)urea.

What is the SMILES notation for 1-[4-butoxy-3-(trifluoromethyl)phenyl]-1-(4-pyridin-3-yl-1,3-thiazol-2-yl)urea;bis(5-[2-(N-carbamoyl-4-heptoxyanilino)-1,3-thiazol-4-yl]-N,N-dimethylpyridine-2-carboxamide);1-[4-(cyclohexylmethoxy)-3-fluorophenyl]-1-(4-pyridin-3-yl-1,3-thiazol-2-yl)urea;3-cyclohexyl-1-(4-octoxyphenyl)-1-(4-pyridin-3-yl-1,3-thiazol-2-yl)urea;1-[4-(2-methylpropoxy)-3-(trifluoromethyl)phenyl]-1-(4-pyridin-3-yl-1,3-thiazol-2-yl)urea?

The canonical SMILES for 1-[4-butoxy-3-(trifluoromethyl)phenyl]-1-(4-pyridin-3-yl-1,3-thiazol-2-yl)urea;bis(5-[2-(N-carbamoyl-4-heptoxyanilino)-1,3-thiazol-4-yl]-N,N-dimethylpyridine-2-carboxamide);1-[4-(cyclohexylmethoxy)-3-fluorophenyl]-1-(4-pyridin-3-yl-1,3-thiazol-2-yl)urea;3-cyclohexyl-1-(4-octoxyphenyl)-1-(4-pyridin-3-yl-1,3-thiazol-2-yl)urea;1-[4-(2-methylpropoxy)-3-(trifluoromethyl)phenyl]-1-(4-pyridin-3-yl-1,3-thiazol-2-yl)urea is CC(C)COc1ccc(N(C(N)=O)c2nc(-c3cccnc3)cs2)cc1C(F)(F)F.CCCCCCCCOc1ccc(N(C(=O)NC2CCCCC2)c2nc(-c3cccnc3)cs2)cc1.CCCCCCCOc1ccc(N(C(N)=O)c2nc(-c3ccc(C(=O)N(C)C)nc3)cs2)cc1.CCCCCCCOc1ccc(N(C(N)=O)c2nc(-c3ccc(C(=O)N(C)C)nc3)cs2)cc1.CCCCOc1ccc(N(C(N)=O)c2nc(-c3cccnc3)cs2)cc1C(F)(F)F.NC(=O)N(c1ccc(OCC2CCCCC2)c(F)c1)c1nc(-c2cccnc2)cs1.

What is the InChIKey of 1-[4-butoxy-3-(trifluoromethyl)phenyl]-1-(4-pyridin-3-yl-1,3-thiazol-2-yl)urea;bis(5-[2-(N-carbamoyl-4-heptoxyanilino)-1,3-thiazol-4-yl]-N,N-dimethylpyridine-2-carboxamide);1-[4-(cyclohexylmethoxy)-3-fluorophenyl]-1-(4-pyridin-3-yl-1,3-thiazol-2-yl)urea;3-cyclohexyl-1-(4-octoxyphenyl)-1-(4-pyridin-3-yl-1,3-thiazol-2-yl)urea;1-[4-(2-methylpropoxy)-3-(trifluoromethyl)phenyl]-1-(4-pyridin-3-yl-1,3-thiazol-2-yl)urea?

The InChIKey is KLKIVBLQKVRTBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H38N4O2S.2C25H31N5O3S.C22H23FN4O2S.2C20H19F3N4O2S/c1-2-3-4-5-6-10-20-35-26-17-15-25(16-18-26)33(28(34)31-24-13-8-7-9-14-24)29-32-27(22-36-29)23-12-11-19-30-21-23;2*1-4-5-6-7-8-15-33-20-12-10-19(11-13-20)30(24(26)32)25-28-22(17-34-25)18-9-14-21(27-16-18)23(31)29(2)3;23-18-11-17(8-9-20(18)29-13-15-5-2-1-3-6-15)27(21(24)28)22-26-19(14-30-22)16-7-4-10-25-12-16;1-12(2)10-29-17-6-5-14(8-15(17)20(21,22)23)27(18(24)28)19-26-16(11-30-19)13-4-3-7-25-9-13;1-2-3-9-29-17-7-6-14(10-15(17)20(21,22)23)27(18(24)28)19-26-16(12-30-19)13-5-4-8-25-11-13/h11-12,15-19,21-22,24H,2-10,13-14,20H2,1H3,(H,31,34);2*9-14,16-17H,4-8,15H2,1-3H3,(H2,26,32);4,7-12,14-15H,1-3,5-6,13H2,(H2,24,28);3-9,11-12H,10H2,1-2H3,(H2,24,28);4-8,10-12H,2-3,9H2,1H3,(H2,24,28).

What are the key properties of 1-[4-butoxy-3-(trifluoromethyl)phenyl]-1-(4-pyridin-3-yl-1,3-thiazol-2-yl)urea;bis(5-[2-(N-carbamoyl-4-heptoxyanilino)-1,3-thiazol-4-yl]-N,N-dimethylpyridine-2-carboxamide);1-[4-(cyclohexylmethoxy)-3-fluorophenyl]-1-(4-pyridin-3-yl-1,3-thiazol-2-yl)urea;3-cyclohexyl-1-(4-octoxyphenyl)-1-(4-pyridin-3-yl-1,3-thiazol-2-yl)urea;1-[4-(2-methylpropoxy)-3-(trifluoromethyl)phenyl]-1-(4-pyridin-3-yl-1,3-thiazol-2-yl)urea?

1-[4-butoxy-3-(trifluoromethyl)phenyl]-1-(4-pyridin-3-yl-1,3-thiazol-2-yl)urea;bis(5-[2-(N-carbamoyl-4-heptoxyanilino)-1,3-thiazol-4-yl]-N,N-dimethylpyridine-2-carboxamide);1-[4-(cyclohexylmethoxy)-3-fluorophenyl]-1-(4-pyridin-3-yl-1,3-thiazol-2-yl)urea;3-cyclohexyl-1-(4-octoxyphenyl)-1-(4-pyridin-3-yl-1,3-thiazol-2-yl)urea;1-[4-(2-methylpropoxy)-3-(trifluoromethyl)phenyl]-1-(4-pyridin-3-yl-1,3-thiazol-2-yl)urea has a molecular weight of 2769.39 g/mol, XLogP of 35.69, 53 rotatable bonds, 6 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-butoxy-3-(trifluoromethyl)phenyl]-1-(4-pyridin-3-yl-1,3-thiazol-2-yl)urea;bis(5-[2-(N-carbamoyl-4-heptoxyanilino)-1,3-thiazol-4-yl]-N,N-dimethylpyridine-2-carboxamide);1-[4-(cyclohexylmethoxy)-3-fluorophenyl]-1-(4-pyridin-3-yl-1,3-thiazol-2-yl)urea;3-cyclohexyl-1-(4-octoxyphenyl)-1-(4-pyridin-3-yl-1,3-thiazol-2-yl)urea;1-[4-(2-methylpropoxy)-3-(trifluoromethyl)phenyl]-1-(4-pyridin-3-yl-1,3-thiazol-2-yl)urea is sourced from PubChem (CID 159168726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).