2-tert-butyl-5-(4-chlorophenyl)-1,3-thiazole;2-tert-butyl-4-(3,4-dichlorophenyl)-5-(4-methylphenyl)-1,3-thiazole;2-tert-butyl-4-(3,4-dichlorophenyl)-5-phenyl-1,3-thiazole;2-tert-butyl-4-(4-ethylphenyl)-1,3-thiazole;5-tert-butyl-3-(4-methylphenyl)-1-phenylpyrazole;2-tert-butyl-5-phenyl-1,3-thiazole;2-tert-butyl-4-[4-(trifluoromethyl)phenyl]-1,3-thiazole

C114H120Cl5F3N8S6 — CID 160550039

About 2-tert-butyl-5-(4-chlorophenyl)-1,3-thiazole;2-tert-butyl-4-(3,4-dichlorophenyl)-5-(4-methylphenyl)-1,3-thiazole;2-tert-butyl-4-(3,4-dichlorophenyl)-5-phenyl-1,3-thiazole;2-tert-butyl-4-(4-ethylphenyl)-1,3-thiazole;5-tert-butyl-3-(4-methylphenyl)-1-phenylpyrazole;2-tert-butyl-5-phenyl-1,3-thiazole;2-tert-butyl-4-[4-(trifluoromethyl)phenyl]-1,3-thiazole

2-tert-butyl-5-(4-chlorophenyl)-1,3-thiazole;2-tert-butyl-4-(3,4-dichlorophenyl)-5-(4-methylphenyl)-1,3-thiazole;2-tert-butyl-4-(3,4-dichlorophenyl)-5-phenyl-1,3-thiazole;2-tert-butyl-4-(4-ethylphenyl)-1,3-thiazole;5-tert-butyl-3-(4-methylphenyl)-1-phenylpyrazole;2-tert-butyl-5-phenyl-1,3-thiazole;2-tert-butyl-4-[4-(trifluoromethyl)phenyl]-1,3-thiazole (PubChem CID 160550039) has the molecular formula C114H120Cl5F3N8S6 and a molecular weight of 2028.93 g/mol. Its IUPAC name is 2-tert-butyl-5-(4-chlorophenyl)-1,3-thiazole;2-tert-butyl-4-(3,4-dichlorophenyl)-5-(4-methylphenyl)-1,3-thiazole;2-tert-butyl-4-(3,4-dichlorophenyl)-5-phenyl-1,3-thiazole;2-tert-butyl-4-(4-ethylphenyl)-1,3-thiazole;5-tert-butyl-3-(4-methylphenyl)-1-phenylpyrazole;2-tert-butyl-5-phenyl-1,3-thiazole;2-tert-butyl-4-[4-(trifluoromethyl)phenyl]-1,3-thiazole.

Molecular Properties

• Compound Name: 2-tert-butyl-5-(4-chlorophenyl)-1,3-thiazole;2-tert-butyl-4-(3,4-dichlorophenyl)-5-(4-methylphenyl)-1,3-thiazole;2-tert-butyl-4-(3,4-dichlorophenyl)-5-phenyl-1,3-thiazole;2-tert-butyl-4-(4-ethylphenyl)-1,3-thiazole;5-tert-butyl-3-(4-methylphenyl)-1-phenylpyrazole;2-tert-butyl-5-phenyl-1,3-thiazole;2-tert-butyl-4-[4-(trifluoromethyl)phenyl]-1,3-thiazole
• PubChem CID: 160550039
• Molecular Formula: C114H120Cl5F3N8S6
• Molecular Weight: 2028.93 g/mol
• Exact Mass: 2024.64
• IUPAC Name: 2-tert-butyl-5-(4-chlorophenyl)-1,3-thiazole;2-tert-butyl-4-(3,4-dichlorophenyl)-5-(4-methylphenyl)-1,3-thiazole;2-tert-butyl-4-(3,4-dichlorophenyl)-5-phenyl-1,3-thiazole;2-tert-butyl-4-(4-ethylphenyl)-1,3-thiazole;5-tert-butyl-3-(4-methylphenyl)-1-phenylpyrazole;2-tert-butyl-5-phenyl-1,3-thiazole;2-tert-butyl-4-[4-(trifluoromethyl)phenyl]-1,3-thiazole
• SMILES: CC(C)(C)c1nc(-c2ccc(C(F)(F)F)cc2)cs1.CC(C)(C)c1nc(-c2ccc(Cl)c(Cl)c2)c(-c2ccccc2)s1.CC(C)(C)c1ncc(-c2ccc(Cl)cc2)s1.CC(C)(C)c1ncc(-c2ccccc2)s1.CCc1ccc(-c2csc(C(C)(C)C)n2)cc1.Cc1ccc(-c2cc(C(C)(C)C)n(-c3ccccc3)n2)cc1.Cc1ccc(-c2sc(C(C)(C)C)nc2-c2ccc(Cl)c(Cl)c2)cc1
• InChI: InChI=1S/C20H19Cl2NS.C20H22N2.C19H17Cl2NS.C15H19NS.C14H14F3NS.C13H14ClNS.C13H15NS/c1-12-5-7-13(8-6-12)18-17(23-19(24-18)20(2,3)4)14-9-10-15(21)16(22)11-14;1-15-10-12-16(13-11-15)18-14-19(20(2,3)4)22(21-18)17-8-6-5-7-9-17;1-19(2,3)18-22-16(13-9-10-14(20)15(21)11-13)17(23-18)12-7-5-4-6-8-12;1-5-11-6-8-12(9-7-11)13-10-17-14(16-13)15(2,3)4;1-13(2,3)12-18-11(8-19-12)9-4-6-10(7-5-9)14(15,16)17;1-13(2,3)12-15-8-11(16-12)9-4-6-10(14)7-5-9;1-13(2,3)12-14-9-11(15-12)10-7-5-4-6-8-10/h5-11H,1-4H3;5-14H,1-4H3;4-11H,1-3H3;6-10H,5H2,1-4H3;4-8H,1-3H3;4-8H,1-3H3;4-9H,1-3H3
• InChIKey: QXYDCSTZHPVBGG-UHFFFAOYSA-N
• XLogP: 38.28
• TPSA: 95.16 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 11
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2028.93
LogP ≤ 5	38.28
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-(4-chlorophenyl)-1,3-thiazole;2-tert-butyl-4-(3,4-dichlorophenyl)-5-(4-methylphenyl)-1,3-thiazole;2-tert-butyl-4-(3,4-dichlorophenyl)-5-phenyl-1,3-thiazole;2-tert-butyl-4-(4-ethylphenyl)-1,3-thiazole;5-tert-butyl-3-(4-methylphenyl)-1-phenylpyrazole;2-tert-butyl-5-phenyl-1,3-thiazole;2-tert-butyl-4-[4-(trifluoromethyl)phenyl]-1,3-thiazole?

The IUPAC name of 2-tert-butyl-5-(4-chlorophenyl)-1,3-thiazole;2-tert-butyl-4-(3,4-dichlorophenyl)-5-(4-methylphenyl)-1,3-thiazole;2-tert-butyl-4-(3,4-dichlorophenyl)-5-phenyl-1,3-thiazole;2-tert-butyl-4-(4-ethylphenyl)-1,3-thiazole;5-tert-butyl-3-(4-methylphenyl)-1-phenylpyrazole;2-tert-butyl-5-phenyl-1,3-thiazole;2-tert-butyl-4-[4-(trifluoromethyl)phenyl]-1,3-thiazole (CID 160550039) is 2-tert-butyl-5-(4-chlorophenyl)-1,3-thiazole;2-tert-butyl-4-(3,4-dichlorophenyl)-5-(4-methylphenyl)-1,3-thiazole;2-tert-butyl-4-(3,4-dichlorophenyl)-5-phenyl-1,3-thiazole;2-tert-butyl-4-(4-ethylphenyl)-1,3-thiazole;5-tert-butyl-3-(4-methylphenyl)-1-phenylpyrazole;2-tert-butyl-5-phenyl-1,3-thiazole;2-tert-butyl-4-[4-(trifluoromethyl)phenyl]-1,3-thiazole.

What is the SMILES notation for 2-tert-butyl-5-(4-chlorophenyl)-1,3-thiazole;2-tert-butyl-4-(3,4-dichlorophenyl)-5-(4-methylphenyl)-1,3-thiazole;2-tert-butyl-4-(3,4-dichlorophenyl)-5-phenyl-1,3-thiazole;2-tert-butyl-4-(4-ethylphenyl)-1,3-thiazole;5-tert-butyl-3-(4-methylphenyl)-1-phenylpyrazole;2-tert-butyl-5-phenyl-1,3-thiazole;2-tert-butyl-4-[4-(trifluoromethyl)phenyl]-1,3-thiazole?

The canonical SMILES for 2-tert-butyl-5-(4-chlorophenyl)-1,3-thiazole;2-tert-butyl-4-(3,4-dichlorophenyl)-5-(4-methylphenyl)-1,3-thiazole;2-tert-butyl-4-(3,4-dichlorophenyl)-5-phenyl-1,3-thiazole;2-tert-butyl-4-(4-ethylphenyl)-1,3-thiazole;5-tert-butyl-3-(4-methylphenyl)-1-phenylpyrazole;2-tert-butyl-5-phenyl-1,3-thiazole;2-tert-butyl-4-[4-(trifluoromethyl)phenyl]-1,3-thiazole is CC(C)(C)c1nc(-c2ccc(C(F)(F)F)cc2)cs1.CC(C)(C)c1nc(-c2ccc(Cl)c(Cl)c2)c(-c2ccccc2)s1.CC(C)(C)c1ncc(-c2ccc(Cl)cc2)s1.CC(C)(C)c1ncc(-c2ccccc2)s1.CCc1ccc(-c2csc(C(C)(C)C)n2)cc1.Cc1ccc(-c2cc(C(C)(C)C)n(-c3ccccc3)n2)cc1.Cc1ccc(-c2sc(C(C)(C)C)nc2-c2ccc(Cl)c(Cl)c2)cc1.

What is the InChIKey of 2-tert-butyl-5-(4-chlorophenyl)-1,3-thiazole;2-tert-butyl-4-(3,4-dichlorophenyl)-5-(4-methylphenyl)-1,3-thiazole;2-tert-butyl-4-(3,4-dichlorophenyl)-5-phenyl-1,3-thiazole;2-tert-butyl-4-(4-ethylphenyl)-1,3-thiazole;5-tert-butyl-3-(4-methylphenyl)-1-phenylpyrazole;2-tert-butyl-5-phenyl-1,3-thiazole;2-tert-butyl-4-[4-(trifluoromethyl)phenyl]-1,3-thiazole?

The InChIKey is QXYDCSTZHPVBGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19Cl2NS.C20H22N2.C19H17Cl2NS.C15H19NS.C14H14F3NS.C13H14ClNS.C13H15NS/c1-12-5-7-13(8-6-12)18-17(23-19(24-18)20(2,3)4)14-9-10-15(21)16(22)11-14;1-15-10-12-16(13-11-15)18-14-19(20(2,3)4)22(21-18)17-8-6-5-7-9-17;1-19(2,3)18-22-16(13-9-10-14(20)15(21)11-13)17(23-18)12-7-5-4-6-8-12;1-5-11-6-8-12(9-7-11)13-10-17-14(16-13)15(2,3)4;1-13(2,3)12-18-11(8-19-12)9-4-6-10(7-5-9)14(15,16)17;1-13(2,3)12-15-8-11(16-12)9-4-6-10(14)7-5-9;1-13(2,3)12-14-9-11(15-12)10-7-5-4-6-8-10/h5-11H,1-4H3;5-14H,1-4H3;4-11H,1-3H3;6-10H,5H2,1-4H3;4-8H,1-3H3;4-8H,1-3H3;4-9H,1-3H3.

What are the key properties of 2-tert-butyl-5-(4-chlorophenyl)-1,3-thiazole;2-tert-butyl-4-(3,4-dichlorophenyl)-5-(4-methylphenyl)-1,3-thiazole;2-tert-butyl-4-(3,4-dichlorophenyl)-5-phenyl-1,3-thiazole;2-tert-butyl-4-(4-ethylphenyl)-1,3-thiazole;5-tert-butyl-3-(4-methylphenyl)-1-phenylpyrazole;2-tert-butyl-5-phenyl-1,3-thiazole;2-tert-butyl-4-[4-(trifluoromethyl)phenyl]-1,3-thiazole?

2-tert-butyl-5-(4-chlorophenyl)-1,3-thiazole;2-tert-butyl-4-(3,4-dichlorophenyl)-5-(4-methylphenyl)-1,3-thiazole;2-tert-butyl-4-(3,4-dichlorophenyl)-5-phenyl-1,3-thiazole;2-tert-butyl-4-(4-ethylphenyl)-1,3-thiazole;5-tert-butyl-3-(4-methylphenyl)-1-phenylpyrazole;2-tert-butyl-5-phenyl-1,3-thiazole;2-tert-butyl-4-[4-(trifluoromethyl)phenyl]-1,3-thiazole has a molecular weight of 2028.93 g/mol, XLogP of 38.28, 11 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 2-tert-butyl-5-(4-chlorophenyl)-1,3-thiazole;2-tert-butyl-4-(3,4-dichlorophenyl)-5-(4-methylphenyl)-1,3-thiazole;2-tert-butyl-4-(3,4-dichlorophenyl)-5-phenyl-1,3-thiazole;2-tert-butyl-4-(4-ethylphenyl)-1,3-thiazole;5-tert-butyl-3-(4-methylphenyl)-1-phenylpyrazole;2-tert-butyl-5-phenyl-1,3-thiazole;2-tert-butyl-4-[4-(trifluoromethyl)phenyl]-1,3-thiazole is sourced from PubChem (CID 160550039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).