1-[3-(2-tert-butyl-4-pyridin-4-yl-1,3-thiazol-5-yl)phenyl]-1-hydroxy-3-(4-methoxyphenyl)urea;1-[3-(2-tert-butyl-4-pyridin-4-yl-1,3-thiazol-5-yl)phenyl]-1-hydroxy-3-[4-(trifluoromethyl)phenyl]urea;1-[3-(5-tert-butyl-3-pyridin-4-ylthiophen-2-yl)phenyl]-1-hydroxy-3-(4-methylphenyl)urea;1-[3-(2-tert-butyl-4-pyrimidin-4-yl-1,3-thiazol-5-yl)phenyl]-3-(4-chlorophenyl)-1-hydroxyurea

C103H98ClF3N16O9S4 — CID 161092560

About 1-[3-(2-tert-butyl-4-pyridin-4-yl-1,3-thiazol-5-yl)phenyl]-1-hydroxy-3-(4-methoxyphenyl)urea;1-[3-(2-tert-butyl-4-pyridin-4-yl-1,3-thiazol-5-yl)phenyl]-1-hydroxy-3-[4-(trifluoromethyl)phenyl]urea;1-[3-(5-tert-butyl-3-pyridin-4-ylthiophen-2-yl)phenyl]-1-hydroxy-3-(4-methylphenyl)urea;1-[3-(2-tert-butyl-4-pyrimidin-4-yl-1,3-thiazol-5-yl)phenyl]-3-(4-chlorophenyl)-1-hydroxyurea

1-[3-(2-tert-butyl-4-pyridin-4-yl-1,3-thiazol-5-yl)phenyl]-1-hydroxy-3-(4-methoxyphenyl)urea;1-[3-(2-tert-butyl-4-pyridin-4-yl-1,3-thiazol-5-yl)phenyl]-1-hydroxy-3-[4-(trifluoromethyl)phenyl]urea;1-[3-(5-tert-butyl-3-pyridin-4-ylthiophen-2-yl)phenyl]-1-hydroxy-3-(4-methylphenyl)urea;1-[3-(2-tert-butyl-4-pyrimidin-4-yl-1,3-thiazol-5-yl)phenyl]-3-(4-chlorophenyl)-1-hydroxyurea (PubChem CID 161092560) has the molecular formula C103H98ClF3N16O9S4 and a molecular weight of 1924.73 g/mol. Its IUPAC name is 1-[3-(2-tert-butyl-4-pyridin-4-yl-1,3-thiazol-5-yl)phenyl]-1-hydroxy-3-(4-methoxyphenyl)urea;1-[3-(2-tert-butyl-4-pyridin-4-yl-1,3-thiazol-5-yl)phenyl]-1-hydroxy-3-[4-(trifluoromethyl)phenyl]urea;1-[3-(5-tert-butyl-3-pyridin-4-ylthiophen-2-yl)phenyl]-1-hydroxy-3-(4-methylphenyl)urea;1-[3-(2-tert-butyl-4-pyrimidin-4-yl-1,3-thiazol-5-yl)phenyl]-3-(4-chlorophenyl)-1-hydroxyurea.

Molecular Properties

• Compound Name: 1-[3-(2-tert-butyl-4-pyridin-4-yl-1,3-thiazol-5-yl)phenyl]-1-hydroxy-3-(4-methoxyphenyl)urea;1-[3-(2-tert-butyl-4-pyridin-4-yl-1,3-thiazol-5-yl)phenyl]-1-hydroxy-3-[4-(trifluoromethyl)phenyl]urea;1-[3-(5-tert-butyl-3-pyridin-4-ylthiophen-2-yl)phenyl]-1-hydroxy-3-(4-methylphenyl)urea;1-[3-(2-tert-butyl-4-pyrimidin-4-yl-1,3-thiazol-5-yl)phenyl]-3-(4-chlorophenyl)-1-hydroxyurea
• PubChem CID: 161092560
• Molecular Formula: C103H98ClF3N16O9S4
• Molecular Weight: 1924.73 g/mol
• Exact Mass: 1922.62
• IUPAC Name: 1-[3-(2-tert-butyl-4-pyridin-4-yl-1,3-thiazol-5-yl)phenyl]-1-hydroxy-3-(4-methoxyphenyl)urea;1-[3-(2-tert-butyl-4-pyridin-4-yl-1,3-thiazol-5-yl)phenyl]-1-hydroxy-3-[4-(trifluoromethyl)phenyl]urea;1-[3-(5-tert-butyl-3-pyridin-4-ylthiophen-2-yl)phenyl]-1-hydroxy-3-(4-methylphenyl)urea;1-[3-(2-tert-butyl-4-pyrimidin-4-yl-1,3-thiazol-5-yl)phenyl]-3-(4-chlorophenyl)-1-hydroxyurea
• SMILES: CC(C)(C)c1nc(-c2ccncc2)c(-c2cccc(N(O)C(=O)Nc3ccc(C(F)(F)F)cc3)c2)s1.CC(C)(C)c1nc(-c2ccncn2)c(-c2cccc(N(O)C(=O)Nc3ccc(Cl)cc3)c2)s1.COc1ccc(NC(=O)N(O)c2cccc(-c3sc(C(C)(C)C)nc3-c3ccncc3)c2)cc1.Cc1ccc(NC(=O)N(O)c2cccc(-c3sc(C(C)(C)C)cc3-c3ccncc3)c2)cc1
• InChI: InChI=1S/C27H27N3O2S.C26H23F3N4O2S.C26H26N4O3S.C24H22ClN5O2S/c1-18-8-10-21(11-9-18)29-26(31)30(32)22-7-5-6-20(16-22)25-23(19-12-14-28-15-13-19)17-24(33-25)27(2,3)4;1-25(2,3)23-32-21(16-11-13-30-14-12-16)22(36-23)17-5-4-6-20(15-17)33(35)24(34)31-19-9-7-18(8-10-19)26(27,28)29;1-26(2,3)24-29-22(17-12-14-27-15-13-17)23(34-24)18-6-5-7-20(16-18)30(32)25(31)28-19-8-10-21(33-4)11-9-19;1-24(2,3)22-29-20(19-11-12-26-14-27-19)21(33-22)15-5-4-6-18(13-15)30(32)23(31)28-17-9-7-16(25)8-10-17/h5-17,32H,1-4H3,(H,29,31);4-15,35H,1-3H3,(H,31,34);5-16,32H,1-4H3,(H,28,31);4-14,32H,1-3H3,(H,28,31)
• InChIKey: UHJISRJFRUXKPB-UHFFFAOYSA-N
• XLogP: 28.38
• TPSA: 322.63 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 21
• Rotatable Bonds: 17
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1924.73
LogP ≤ 5	28.38
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-tert-butyl-4-pyridin-4-yl-1,3-thiazol-5-yl)phenyl]-1-hydroxy-3-(4-methoxyphenyl)urea;1-[3-(2-tert-butyl-4-pyridin-4-yl-1,3-thiazol-5-yl)phenyl]-1-hydroxy-3-[4-(trifluoromethyl)phenyl]urea;1-[3-(5-tert-butyl-3-pyridin-4-ylthiophen-2-yl)phenyl]-1-hydroxy-3-(4-methylphenyl)urea;1-[3-(2-tert-butyl-4-pyrimidin-4-yl-1,3-thiazol-5-yl)phenyl]-3-(4-chlorophenyl)-1-hydroxyurea?

The IUPAC name of 1-[3-(2-tert-butyl-4-pyridin-4-yl-1,3-thiazol-5-yl)phenyl]-1-hydroxy-3-(4-methoxyphenyl)urea;1-[3-(2-tert-butyl-4-pyridin-4-yl-1,3-thiazol-5-yl)phenyl]-1-hydroxy-3-[4-(trifluoromethyl)phenyl]urea;1-[3-(5-tert-butyl-3-pyridin-4-ylthiophen-2-yl)phenyl]-1-hydroxy-3-(4-methylphenyl)urea;1-[3-(2-tert-butyl-4-pyrimidin-4-yl-1,3-thiazol-5-yl)phenyl]-3-(4-chlorophenyl)-1-hydroxyurea (CID 161092560) is 1-[3-(2-tert-butyl-4-pyridin-4-yl-1,3-thiazol-5-yl)phenyl]-1-hydroxy-3-(4-methoxyphenyl)urea;1-[3-(2-tert-butyl-4-pyridin-4-yl-1,3-thiazol-5-yl)phenyl]-1-hydroxy-3-[4-(trifluoromethyl)phenyl]urea;1-[3-(5-tert-butyl-3-pyridin-4-ylthiophen-2-yl)phenyl]-1-hydroxy-3-(4-methylphenyl)urea;1-[3-(2-tert-butyl-4-pyrimidin-4-yl-1,3-thiazol-5-yl)phenyl]-3-(4-chlorophenyl)-1-hydroxyurea.

What is the SMILES notation for 1-[3-(2-tert-butyl-4-pyridin-4-yl-1,3-thiazol-5-yl)phenyl]-1-hydroxy-3-(4-methoxyphenyl)urea;1-[3-(2-tert-butyl-4-pyridin-4-yl-1,3-thiazol-5-yl)phenyl]-1-hydroxy-3-[4-(trifluoromethyl)phenyl]urea;1-[3-(5-tert-butyl-3-pyridin-4-ylthiophen-2-yl)phenyl]-1-hydroxy-3-(4-methylphenyl)urea;1-[3-(2-tert-butyl-4-pyrimidin-4-yl-1,3-thiazol-5-yl)phenyl]-3-(4-chlorophenyl)-1-hydroxyurea?

The canonical SMILES for 1-[3-(2-tert-butyl-4-pyridin-4-yl-1,3-thiazol-5-yl)phenyl]-1-hydroxy-3-(4-methoxyphenyl)urea;1-[3-(2-tert-butyl-4-pyridin-4-yl-1,3-thiazol-5-yl)phenyl]-1-hydroxy-3-[4-(trifluoromethyl)phenyl]urea;1-[3-(5-tert-butyl-3-pyridin-4-ylthiophen-2-yl)phenyl]-1-hydroxy-3-(4-methylphenyl)urea;1-[3-(2-tert-butyl-4-pyrimidin-4-yl-1,3-thiazol-5-yl)phenyl]-3-(4-chlorophenyl)-1-hydroxyurea is CC(C)(C)c1nc(-c2ccncc2)c(-c2cccc(N(O)C(=O)Nc3ccc(C(F)(F)F)cc3)c2)s1.CC(C)(C)c1nc(-c2ccncn2)c(-c2cccc(N(O)C(=O)Nc3ccc(Cl)cc3)c2)s1.COc1ccc(NC(=O)N(O)c2cccc(-c3sc(C(C)(C)C)nc3-c3ccncc3)c2)cc1.Cc1ccc(NC(=O)N(O)c2cccc(-c3sc(C(C)(C)C)cc3-c3ccncc3)c2)cc1.

What is the InChIKey of 1-[3-(2-tert-butyl-4-pyridin-4-yl-1,3-thiazol-5-yl)phenyl]-1-hydroxy-3-(4-methoxyphenyl)urea;1-[3-(2-tert-butyl-4-pyridin-4-yl-1,3-thiazol-5-yl)phenyl]-1-hydroxy-3-[4-(trifluoromethyl)phenyl]urea;1-[3-(5-tert-butyl-3-pyridin-4-ylthiophen-2-yl)phenyl]-1-hydroxy-3-(4-methylphenyl)urea;1-[3-(2-tert-butyl-4-pyrimidin-4-yl-1,3-thiazol-5-yl)phenyl]-3-(4-chlorophenyl)-1-hydroxyurea?

The InChIKey is UHJISRJFRUXKPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3O2S.C26H23F3N4O2S.C26H26N4O3S.C24H22ClN5O2S/c1-18-8-10-21(11-9-18)29-26(31)30(32)22-7-5-6-20(16-22)25-23(19-12-14-28-15-13-19)17-24(33-25)27(2,3)4;1-25(2,3)23-32-21(16-11-13-30-14-12-16)22(36-23)17-5-4-6-20(15-17)33(35)24(34)31-19-9-7-18(8-10-19)26(27,28)29;1-26(2,3)24-29-22(17-12-14-27-15-13-17)23(34-24)18-6-5-7-20(16-18)30(32)25(31)28-19-8-10-21(33-4)11-9-19;1-24(2,3)22-29-20(19-11-12-26-14-27-19)21(33-22)15-5-4-6-18(13-15)30(32)23(31)28-17-9-7-16(25)8-10-17/h5-17,32H,1-4H3,(H,29,31);4-15,35H,1-3H3,(H,31,34);5-16,32H,1-4H3,(H,28,31);4-14,32H,1-3H3,(H,28,31).

What are the key properties of 1-[3-(2-tert-butyl-4-pyridin-4-yl-1,3-thiazol-5-yl)phenyl]-1-hydroxy-3-(4-methoxyphenyl)urea;1-[3-(2-tert-butyl-4-pyridin-4-yl-1,3-thiazol-5-yl)phenyl]-1-hydroxy-3-[4-(trifluoromethyl)phenyl]urea;1-[3-(5-tert-butyl-3-pyridin-4-ylthiophen-2-yl)phenyl]-1-hydroxy-3-(4-methylphenyl)urea;1-[3-(2-tert-butyl-4-pyrimidin-4-yl-1,3-thiazol-5-yl)phenyl]-3-(4-chlorophenyl)-1-hydroxyurea?

1-[3-(2-tert-butyl-4-pyridin-4-yl-1,3-thiazol-5-yl)phenyl]-1-hydroxy-3-(4-methoxyphenyl)urea;1-[3-(2-tert-butyl-4-pyridin-4-yl-1,3-thiazol-5-yl)phenyl]-1-hydroxy-3-[4-(trifluoromethyl)phenyl]urea;1-[3-(5-tert-butyl-3-pyridin-4-ylthiophen-2-yl)phenyl]-1-hydroxy-3-(4-methylphenyl)urea;1-[3-(2-tert-butyl-4-pyrimidin-4-yl-1,3-thiazol-5-yl)phenyl]-3-(4-chlorophenyl)-1-hydroxyurea has a molecular weight of 1924.73 g/mol, XLogP of 28.38, 17 rotatable bonds, 8 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-(2-tert-butyl-4-pyridin-4-yl-1,3-thiazol-5-yl)phenyl]-1-hydroxy-3-(4-methoxyphenyl)urea;1-[3-(2-tert-butyl-4-pyridin-4-yl-1,3-thiazol-5-yl)phenyl]-1-hydroxy-3-[4-(trifluoromethyl)phenyl]urea;1-[3-(5-tert-butyl-3-pyridin-4-ylthiophen-2-yl)phenyl]-1-hydroxy-3-(4-methylphenyl)urea;1-[3-(2-tert-butyl-4-pyrimidin-4-yl-1,3-thiazol-5-yl)phenyl]-3-(4-chlorophenyl)-1-hydroxyurea is sourced from PubChem (CID 161092560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).