1-[3-(2-tert-butyl-4-pyridin-4-yl-1,3-thiazol-5-yl)phenyl]-3-(4-chloro-2-fluorophenyl)-1-hydroxyurea;1-[3-(2-tert-butyl-4-pyridin-4-yl-1,3-thiazol-5-yl)phenyl]-3-(3-chlorophenyl)-1-hydroxyurea;1-[3-(2-tert-butyl-4-pyrimidin-4-yl-1,3-thiazol-5-yl)phenyl]-3-(3,4-dichlorophenyl)-1-hydroxyurea;1-[3-(2-tert-butyl-4-pyrimidin-4-yl-1,3-thiazol-5-yl)phenyl]-3-(4-fluorophenyl)-1-hydroxyurea

C98H88Cl4F2N18O8S4 — CID 158309950

About 1-[3-(2-tert-butyl-4-pyridin-4-yl-1,3-thiazol-5-yl)phenyl]-3-(4-chloro-2-fluorophenyl)-1-hydroxyurea;1-[3-(2-tert-butyl-4-pyridin-4-yl-1,3-thiazol-5-yl)phenyl]-3-(3-chlorophenyl)-1-hydroxyurea;1-[3-(2-tert-butyl-4-pyrimidin-4-yl-1,3-thiazol-5-yl)phenyl]-3-(3,4-dichlorophenyl)-1-hydroxyurea;1-[3-(2-tert-butyl-4-pyrimidin-4-yl-1,3-thiazol-5-yl)phenyl]-3-(4-fluorophenyl)-1-hydroxyurea

1-[3-(2-tert-butyl-4-pyridin-4-yl-1,3-thiazol-5-yl)phenyl]-3-(4-chloro-2-fluorophenyl)-1-hydroxyurea;1-[3-(2-tert-butyl-4-pyridin-4-yl-1,3-thiazol-5-yl)phenyl]-3-(3-chlorophenyl)-1-hydroxyurea;1-[3-(2-tert-butyl-4-pyrimidin-4-yl-1,3-thiazol-5-yl)phenyl]-3-(3,4-dichlorophenyl)-1-hydroxyurea;1-[3-(2-tert-butyl-4-pyrimidin-4-yl-1,3-thiazol-5-yl)phenyl]-3-(4-fluorophenyl)-1-hydroxyurea (PubChem CID 158309950) has the molecular formula C98H88Cl4F2N18O8S4 and a molecular weight of 1953.98 g/mol. Its IUPAC name is 1-[3-(2-tert-butyl-4-pyridin-4-yl-1,3-thiazol-5-yl)phenyl]-3-(4-chloro-2-fluorophenyl)-1-hydroxyurea;1-[3-(2-tert-butyl-4-pyridin-4-yl-1,3-thiazol-5-yl)phenyl]-3-(3-chlorophenyl)-1-hydroxyurea;1-[3-(2-tert-butyl-4-pyrimidin-4-yl-1,3-thiazol-5-yl)phenyl]-3-(3,4-dichlorophenyl)-1-hydroxyurea;1-[3-(2-tert-butyl-4-pyrimidin-4-yl-1,3-thiazol-5-yl)phenyl]-3-(4-fluorophenyl)-1-hydroxyurea.

Molecular Properties

• Compound Name: 1-[3-(2-tert-butyl-4-pyridin-4-yl-1,3-thiazol-5-yl)phenyl]-3-(4-chloro-2-fluorophenyl)-1-hydroxyurea;1-[3-(2-tert-butyl-4-pyridin-4-yl-1,3-thiazol-5-yl)phenyl]-3-(3-chlorophenyl)-1-hydroxyurea;1-[3-(2-tert-butyl-4-pyrimidin-4-yl-1,3-thiazol-5-yl)phenyl]-3-(3,4-dichlorophenyl)-1-hydroxyurea;1-[3-(2-tert-butyl-4-pyrimidin-4-yl-1,3-thiazol-5-yl)phenyl]-3-(4-fluorophenyl)-1-hydroxyurea
• PubChem CID: 158309950
• Molecular Formula: C98H88Cl4F2N18O8S4
• Molecular Weight: 1953.98 g/mol
• Exact Mass: 1950.46
• IUPAC Name: 1-[3-(2-tert-butyl-4-pyridin-4-yl-1,3-thiazol-5-yl)phenyl]-3-(4-chloro-2-fluorophenyl)-1-hydroxyurea;1-[3-(2-tert-butyl-4-pyridin-4-yl-1,3-thiazol-5-yl)phenyl]-3-(3-chlorophenyl)-1-hydroxyurea;1-[3-(2-tert-butyl-4-pyrimidin-4-yl-1,3-thiazol-5-yl)phenyl]-3-(3,4-dichlorophenyl)-1-hydroxyurea;1-[3-(2-tert-butyl-4-pyrimidin-4-yl-1,3-thiazol-5-yl)phenyl]-3-(4-fluorophenyl)-1-hydroxyurea
• SMILES: CC(C)(C)c1nc(-c2ccncc2)c(-c2cccc(N(O)C(=O)Nc3ccc(Cl)cc3F)c2)s1.CC(C)(C)c1nc(-c2ccncc2)c(-c2cccc(N(O)C(=O)Nc3cccc(Cl)c3)c2)s1.CC(C)(C)c1nc(-c2ccncn2)c(-c2cccc(N(O)C(=O)Nc3ccc(Cl)c(Cl)c3)c2)s1.CC(C)(C)c1nc(-c2ccncn2)c(-c2cccc(N(O)C(=O)Nc3ccc(F)cc3)c2)s1
• InChI: InChI=1S/C25H22ClFN4O2S.C25H23ClN4O2S.C24H21Cl2N5O2S.C24H22FN5O2S/c1-25(2,3)23-30-21(15-9-11-28-12-10-15)22(34-23)16-5-4-6-18(13-16)31(33)24(32)29-20-8-7-17(26)14-19(20)27;1-25(2,3)23-29-21(16-10-12-27-13-11-16)22(33-23)17-6-4-9-20(14-17)30(32)24(31)28-19-8-5-7-18(26)15-19;1-24(2,3)22-30-20(19-9-10-27-13-28-19)21(34-22)14-5-4-6-16(11-14)31(33)23(32)29-15-7-8-17(25)18(26)12-15;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/h4-14,33H,1-3H3,(H,29,32);4-15,32H,1-3H3,(H,28,31);4-13,33H,1-3H3,(H,29,32);4-14,32H,1-3H3,(H,28,31)
• InChIKey: GNOBVPUWKVDQFF-UHFFFAOYSA-N
• XLogP: 28.07
• TPSA: 339.18 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 22
• Rotatable Bonds: 16
• Heavy Atoms: 134
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1953.98
LogP ≤ 5	28.07
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	22

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]-3-(4-chloro-2-fluorophenyl)-1-hydroxyurea;1-[3-(2-tert-butyl-4-pyridin-4-yl-1,3-thiazol-5-yl)phenyl]-3-(3-chlorophenyl)-1-hydroxyurea;1-[3-(2-tert-butyl-4-pyrimidin-4-yl-1,3-thiazol-5-yl)phenyl]-3-(3,4-dichlorophenyl)-1-hydroxyurea;1-[3-(2-tert-butyl-4-pyrimidin-4-yl-1,3-thiazol-5-yl)phenyl]-3-(4-fluorophenyl)-1-hydroxyurea?

The IUPAC name of 1-[3-(2-tert-butyl-4-pyridin-4-yl-1,3-thiazol-5-yl)phenyl]-3-(4-chloro-2-fluorophenyl)-1-hydroxyurea;1-[3-(2-tert-butyl-4-pyridin-4-yl-1,3-thiazol-5-yl)phenyl]-3-(3-chlorophenyl)-1-hydroxyurea;1-[3-(2-tert-butyl-4-pyrimidin-4-yl-1,3-thiazol-5-yl)phenyl]-3-(3,4-dichlorophenyl)-1-hydroxyurea;1-[3-(2-tert-butyl-4-pyrimidin-4-yl-1,3-thiazol-5-yl)phenyl]-3-(4-fluorophenyl)-1-hydroxyurea (CID 158309950) is 1-[3-(2-tert-butyl-4-pyridin-4-yl-1,3-thiazol-5-yl)phenyl]-3-(4-chloro-2-fluorophenyl)-1-hydroxyurea;1-[3-(2-tert-butyl-4-pyridin-4-yl-1,3-thiazol-5-yl)phenyl]-3-(3-chlorophenyl)-1-hydroxyurea;1-[3-(2-tert-butyl-4-pyrimidin-4-yl-1,3-thiazol-5-yl)phenyl]-3-(3,4-dichlorophenyl)-1-hydroxyurea;1-[3-(2-tert-butyl-4-pyrimidin-4-yl-1,3-thiazol-5-yl)phenyl]-3-(4-fluorophenyl)-1-hydroxyurea.

What is the SMILES notation for 1-[3-(2-tert-butyl-4-pyridin-4-yl-1,3-thiazol-5-yl)phenyl]-3-(4-chloro-2-fluorophenyl)-1-hydroxyurea;1-[3-(2-tert-butyl-4-pyridin-4-yl-1,3-thiazol-5-yl)phenyl]-3-(3-chlorophenyl)-1-hydroxyurea;1-[3-(2-tert-butyl-4-pyrimidin-4-yl-1,3-thiazol-5-yl)phenyl]-3-(3,4-dichlorophenyl)-1-hydroxyurea;1-[3-(2-tert-butyl-4-pyrimidin-4-yl-1,3-thiazol-5-yl)phenyl]-3-(4-fluorophenyl)-1-hydroxyurea?

The canonical SMILES for 1-[3-(2-tert-butyl-4-pyridin-4-yl-1,3-thiazol-5-yl)phenyl]-3-(4-chloro-2-fluorophenyl)-1-hydroxyurea;1-[3-(2-tert-butyl-4-pyridin-4-yl-1,3-thiazol-5-yl)phenyl]-3-(3-chlorophenyl)-1-hydroxyurea;1-[3-(2-tert-butyl-4-pyrimidin-4-yl-1,3-thiazol-5-yl)phenyl]-3-(3,4-dichlorophenyl)-1-hydroxyurea;1-[3-(2-tert-butyl-4-pyrimidin-4-yl-1,3-thiazol-5-yl)phenyl]-3-(4-fluorophenyl)-1-hydroxyurea is CC(C)(C)c1nc(-c2ccncc2)c(-c2cccc(N(O)C(=O)Nc3ccc(Cl)cc3F)c2)s1.CC(C)(C)c1nc(-c2ccncc2)c(-c2cccc(N(O)C(=O)Nc3cccc(Cl)c3)c2)s1.CC(C)(C)c1nc(-c2ccncn2)c(-c2cccc(N(O)C(=O)Nc3ccc(Cl)c(Cl)c3)c2)s1.CC(C)(C)c1nc(-c2ccncn2)c(-c2cccc(N(O)C(=O)Nc3ccc(F)cc3)c2)s1.

What is the InChIKey of 1-[3-(2-tert-butyl-4-pyridin-4-yl-1,3-thiazol-5-yl)phenyl]-3-(4-chloro-2-fluorophenyl)-1-hydroxyurea;1-[3-(2-tert-butyl-4-pyridin-4-yl-1,3-thiazol-5-yl)phenyl]-3-(3-chlorophenyl)-1-hydroxyurea;1-[3-(2-tert-butyl-4-pyrimidin-4-yl-1,3-thiazol-5-yl)phenyl]-3-(3,4-dichlorophenyl)-1-hydroxyurea;1-[3-(2-tert-butyl-4-pyrimidin-4-yl-1,3-thiazol-5-yl)phenyl]-3-(4-fluorophenyl)-1-hydroxyurea?

The InChIKey is GNOBVPUWKVDQFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22ClFN4O2S.C25H23ClN4O2S.C24H21Cl2N5O2S.C24H22FN5O2S/c1-25(2,3)23-30-21(15-9-11-28-12-10-15)22(34-23)16-5-4-6-18(13-16)31(33)24(32)29-20-8-7-17(26)14-19(20)27;1-25(2,3)23-29-21(16-10-12-27-13-11-16)22(33-23)17-6-4-9-20(14-17)30(32)24(31)28-19-8-5-7-18(26)15-19;1-24(2,3)22-30-20(19-9-10-27-13-28-19)21(34-22)14-5-4-6-16(11-14)31(33)23(32)29-15-7-8-17(25)18(26)12-15;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/h4-14,33H,1-3H3,(H,29,32);4-15,32H,1-3H3,(H,28,31);4-13,33H,1-3H3,(H,29,32);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]-3-(4-chloro-2-fluorophenyl)-1-hydroxyurea;1-[3-(2-tert-butyl-4-pyridin-4-yl-1,3-thiazol-5-yl)phenyl]-3-(3-chlorophenyl)-1-hydroxyurea;1-[3-(2-tert-butyl-4-pyrimidin-4-yl-1,3-thiazol-5-yl)phenyl]-3-(3,4-dichlorophenyl)-1-hydroxyurea;1-[3-(2-tert-butyl-4-pyrimidin-4-yl-1,3-thiazol-5-yl)phenyl]-3-(4-fluorophenyl)-1-hydroxyurea?

1-[3-(2-tert-butyl-4-pyridin-4-yl-1,3-thiazol-5-yl)phenyl]-3-(4-chloro-2-fluorophenyl)-1-hydroxyurea;1-[3-(2-tert-butyl-4-pyridin-4-yl-1,3-thiazol-5-yl)phenyl]-3-(3-chlorophenyl)-1-hydroxyurea;1-[3-(2-tert-butyl-4-pyrimidin-4-yl-1,3-thiazol-5-yl)phenyl]-3-(3,4-dichlorophenyl)-1-hydroxyurea;1-[3-(2-tert-butyl-4-pyrimidin-4-yl-1,3-thiazol-5-yl)phenyl]-3-(4-fluorophenyl)-1-hydroxyurea has a molecular weight of 1953.98 g/mol, XLogP of 28.07, 16 rotatable bonds, 8 hydrogen bond donors, and 22 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]-3-(4-chloro-2-fluorophenyl)-1-hydroxyurea;1-[3-(2-tert-butyl-4-pyridin-4-yl-1,3-thiazol-5-yl)phenyl]-3-(3-chlorophenyl)-1-hydroxyurea;1-[3-(2-tert-butyl-4-pyrimidin-4-yl-1,3-thiazol-5-yl)phenyl]-3-(3,4-dichlorophenyl)-1-hydroxyurea;1-[3-(2-tert-butyl-4-pyrimidin-4-yl-1,3-thiazol-5-yl)phenyl]-3-(4-fluorophenyl)-1-hydroxyurea is sourced from PubChem (CID 158309950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).