2,5-bis(4-fluorophenyl)-4-methyl-1,3-thiazole;2-(3-chloro-4-methylphenyl)-5-(4-fluorophenyl)-4-methyl-1,3-thiazole;2-(2-chlorophenyl)-5-(4-fluorophenyl)-4-methyl-1,3-thiazole;2-(3-chlorophenyl)-5-(4-fluorophenyl)-4-methyl-1,3-thiazole;ethane-1,2-diimine;2-(2-fluorophenyl)-5-(4-fluorophenyl)-4-methyl-1,3-thiazole;2-(3-fluorophenyl)-5-(4-fluorophenyl)-4-methyl-1,3-thiazole;5-(4-fluorophenyl)-2-(3-isocyanophenyl)-4-methyl-1,3-thiazole;5-(4-fluorophenyl)-2-(4-methoxyphenyl)-4-methyl-1,3-thiazole;5-(4-fluorophenyl)-4-methyl-2-phenyl-1,3-thiazole;4-(3-isocyanophenyl)-2-methylaniline;3-(3-methyl-4-phenylphenyl)pyridine

C181H136Cl3F12N15OS9 — CID 162095056

About 2,5-bis(4-fluorophenyl)-4-methyl-1,3-thiazole;2-(3-chloro-4-methylphenyl)-5-(4-fluorophenyl)-4-methyl-1,3-thiazole;2-(2-chlorophenyl)-5-(4-fluorophenyl)-4-methyl-1,3-thiazole;2-(3-chlorophenyl)-5-(4-fluorophenyl)-4-methyl-1,3-thiazole;ethane-1,2-diimine;2-(2-fluorophenyl)-5-(4-fluorophenyl)-4-methyl-1,3-thiazole;2-(3-fluorophenyl)-5-(4-fluorophenyl)-4-methyl-1,3-thiazole;5-(4-fluorophenyl)-2-(3-isocyanophenyl)-4-methyl-1,3-thiazole;5-(4-fluorophenyl)-2-(4-methoxyphenyl)-4-methyl-1,3-thiazole;5-(4-fluorophenyl)-4-methyl-2-phenyl-1,3-thiazole;4-(3-isocyanophenyl)-2-methylaniline;3-(3-methyl-4-phenylphenyl)pyridine

2,5-bis(4-fluorophenyl)-4-methyl-1,3-thiazole;2-(3-chloro-4-methylphenyl)-5-(4-fluorophenyl)-4-methyl-1,3-thiazole;2-(2-chlorophenyl)-5-(4-fluorophenyl)-4-methyl-1,3-thiazole;2-(3-chlorophenyl)-5-(4-fluorophenyl)-4-methyl-1,3-thiazole;ethane-1,2-diimine;2-(2-fluorophenyl)-5-(4-fluorophenyl)-4-methyl-1,3-thiazole;2-(3-fluorophenyl)-5-(4-fluorophenyl)-4-methyl-1,3-thiazole;5-(4-fluorophenyl)-2-(3-isocyanophenyl)-4-methyl-1,3-thiazole;5-(4-fluorophenyl)-2-(4-methoxyphenyl)-4-methyl-1,3-thiazole;5-(4-fluorophenyl)-4-methyl-2-phenyl-1,3-thiazole;4-(3-isocyanophenyl)-2-methylaniline;3-(3-methyl-4-phenylphenyl)pyridine (PubChem CID 162095056) has the molecular formula C181H136Cl3F12N15OS9 and a molecular weight of 3160.12 g/mol. Its IUPAC name is 2,5-bis(4-fluorophenyl)-4-methyl-1,3-thiazole;2-(3-chloro-4-methylphenyl)-5-(4-fluorophenyl)-4-methyl-1,3-thiazole;2-(2-chlorophenyl)-5-(4-fluorophenyl)-4-methyl-1,3-thiazole;2-(3-chlorophenyl)-5-(4-fluorophenyl)-4-methyl-1,3-thiazole;ethane-1,2-diimine;2-(2-fluorophenyl)-5-(4-fluorophenyl)-4-methyl-1,3-thiazole;2-(3-fluorophenyl)-5-(4-fluorophenyl)-4-methyl-1,3-thiazole;5-(4-fluorophenyl)-2-(3-isocyanophenyl)-4-methyl-1,3-thiazole;5-(4-fluorophenyl)-2-(4-methoxyphenyl)-4-methyl-1,3-thiazole;5-(4-fluorophenyl)-4-methyl-2-phenyl-1,3-thiazole;4-(3-isocyanophenyl)-2-methylaniline;3-(3-methyl-4-phenylphenyl)pyridine.

Molecular Properties

• Compound Name: 2,5-bis(4-fluorophenyl)-4-methyl-1,3-thiazole;2-(3-chloro-4-methylphenyl)-5-(4-fluorophenyl)-4-methyl-1,3-thiazole;2-(2-chlorophenyl)-5-(4-fluorophenyl)-4-methyl-1,3-thiazole;2-(3-chlorophenyl)-5-(4-fluorophenyl)-4-methyl-1,3-thiazole;ethane-1,2-diimine;2-(2-fluorophenyl)-5-(4-fluorophenyl)-4-methyl-1,3-thiazole;2-(3-fluorophenyl)-5-(4-fluorophenyl)-4-methyl-1,3-thiazole;5-(4-fluorophenyl)-2-(3-isocyanophenyl)-4-methyl-1,3-thiazole;5-(4-fluorophenyl)-2-(4-methoxyphenyl)-4-methyl-1,3-thiazole;5-(4-fluorophenyl)-4-methyl-2-phenyl-1,3-thiazole;4-(3-isocyanophenyl)-2-methylaniline;3-(3-methyl-4-phenylphenyl)pyridine
• PubChem CID: 162095056
• Molecular Formula: C181H136Cl3F12N15OS9
• Molecular Weight: 3160.12 g/mol
• Exact Mass: 3155.74
• IUPAC Name: 2,5-bis(4-fluorophenyl)-4-methyl-1,3-thiazole;2-(3-chloro-4-methylphenyl)-5-(4-fluorophenyl)-4-methyl-1,3-thiazole;2-(2-chlorophenyl)-5-(4-fluorophenyl)-4-methyl-1,3-thiazole;2-(3-chlorophenyl)-5-(4-fluorophenyl)-4-methyl-1,3-thiazole;ethane-1,2-diimine;2-(2-fluorophenyl)-5-(4-fluorophenyl)-4-methyl-1,3-thiazole;2-(3-fluorophenyl)-5-(4-fluorophenyl)-4-methyl-1,3-thiazole;5-(4-fluorophenyl)-2-(3-isocyanophenyl)-4-methyl-1,3-thiazole;5-(4-fluorophenyl)-2-(4-methoxyphenyl)-4-methyl-1,3-thiazole;5-(4-fluorophenyl)-4-methyl-2-phenyl-1,3-thiazole;4-(3-isocyanophenyl)-2-methylaniline;3-(3-methyl-4-phenylphenyl)pyridine
• SMILES: COc1ccc(-c2nc(C)c(-c3ccc(F)cc3)s2)cc1.Cc1cc(-c2cccnc2)ccc1-c1ccccc1.Cc1ccc(-c2nc(C)c(-c3ccc(F)cc3)s2)cc1Cl.Cc1nc(-c2ccc(F)cc2)sc1-c1ccc(F)cc1.Cc1nc(-c2cccc(Cl)c2)sc1-c1ccc(F)cc1.Cc1nc(-c2cccc(F)c2)sc1-c1ccc(F)cc1.Cc1nc(-c2ccccc2)sc1-c1ccc(F)cc1.Cc1nc(-c2ccccc2Cl)sc1-c1ccc(F)cc1.Cc1nc(-c2ccccc2F)sc1-c1ccc(F)cc1.[C-]#[N+]c1cccc(-c2ccc(N)c(C)c2)c1.[C-]#[N+]c1cccc(-c2nc(C)c(-c3ccc(F)cc3)s2)c1.[H]/N=C/C=N/[H]
• InChI: InChI=1S/C18H15N.C17H13ClFNS.C17H11FN2S.C17H14FNOS.2C16H11ClFNS.3C16H11F2NS.C16H12FNS.C14H12N2.C2H4N2/c1-14-12-16(17-8-5-11-19-13-17)9-10-18(14)15-6-3-2-4-7-15;1-10-3-4-13(9-15(10)18)17-20-11(2)16(21-17)12-5-7-14(19)8-6-12;1-11-16(12-6-8-14(18)9-7-12)21-17(20-11)13-4-3-5-15(10-13)19-2;1-11-16(12-3-7-14(18)8-4-12)21-17(19-11)13-5-9-15(20-2)10-6-13;1-10-15(11-5-7-14(18)8-6-11)20-16(19-10)12-3-2-4-13(17)9-12;1-10-15(11-6-8-12(18)9-7-11)20-16(19-10)13-4-2-3-5-14(13)17;1-10-15(11-2-6-13(17)7-3-11)20-16(19-10)12-4-8-14(18)9-5-12;1-10-15(11-5-7-13(17)8-6-11)20-16(19-10)12-3-2-4-14(18)9-12;1-10-15(11-6-8-12(17)9-7-11)20-16(19-10)13-4-2-3-5-14(13)18;1-11-15(12-7-9-14(17)10-8-12)19-16(18-11)13-5-3-2-4-6-13;1-10-8-12(6-7-14(10)15)11-4-3-5-13(9-11)16-2;3-1-2-4/h2-13H,1H3;3-9H,1-2H3;3-10H,1H3;3-10H,1-2H3;5*2-9H,1H3;2-10H,1H3;3-9H,15H2,1H3;1-4H/b;;;;;;;;;;;3-1+,4-2+
• InChIKey: ZEDCZKLSCMXGLA-HENCVICESA-N
• XLogP: 56.37
• TPSA: 220.57 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 23
• Rotatable Bonds: 23
• Heavy Atoms: 221
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3160.12
LogP ≤ 5	56.37
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2,5-bis(4-fluorophenyl)-4-methyl-1,3-thiazole;2-(3-chloro-4-methylphenyl)-5-(4-fluorophenyl)-4-methyl-1,3-thiazole;2-(2-chlorophenyl)-5-(4-fluorophenyl)-4-methyl-1,3-thiazole;2-(3-chlorophenyl)-5-(4-fluorophenyl)-4-methyl-1,3-thiazole;ethane-1,2-diimine;2-(2-fluorophenyl)-5-(4-fluorophenyl)-4-methyl-1,3-thiazole;2-(3-fluorophenyl)-5-(4-fluorophenyl)-4-methyl-1,3-thiazole;5-(4-fluorophenyl)-2-(3-isocyanophenyl)-4-methyl-1,3-thiazole;5-(4-fluorophenyl)-2-(4-methoxyphenyl)-4-methyl-1,3-thiazole;5-(4-fluorophenyl)-4-methyl-2-phenyl-1,3-thiazole;4-(3-isocyanophenyl)-2-methylaniline;3-(3-methyl-4-phenylphenyl)pyridine?

The IUPAC name of 2,5-bis(4-fluorophenyl)-4-methyl-1,3-thiazole;2-(3-chloro-4-methylphenyl)-5-(4-fluorophenyl)-4-methyl-1,3-thiazole;2-(2-chlorophenyl)-5-(4-fluorophenyl)-4-methyl-1,3-thiazole;2-(3-chlorophenyl)-5-(4-fluorophenyl)-4-methyl-1,3-thiazole;ethane-1,2-diimine;2-(2-fluorophenyl)-5-(4-fluorophenyl)-4-methyl-1,3-thiazole;2-(3-fluorophenyl)-5-(4-fluorophenyl)-4-methyl-1,3-thiazole;5-(4-fluorophenyl)-2-(3-isocyanophenyl)-4-methyl-1,3-thiazole;5-(4-fluorophenyl)-2-(4-methoxyphenyl)-4-methyl-1,3-thiazole;5-(4-fluorophenyl)-4-methyl-2-phenyl-1,3-thiazole;4-(3-isocyanophenyl)-2-methylaniline;3-(3-methyl-4-phenylphenyl)pyridine (CID 162095056) is 2,5-bis(4-fluorophenyl)-4-methyl-1,3-thiazole;2-(3-chloro-4-methylphenyl)-5-(4-fluorophenyl)-4-methyl-1,3-thiazole;2-(2-chlorophenyl)-5-(4-fluorophenyl)-4-methyl-1,3-thiazole;2-(3-chlorophenyl)-5-(4-fluorophenyl)-4-methyl-1,3-thiazole;ethane-1,2-diimine;2-(2-fluorophenyl)-5-(4-fluorophenyl)-4-methyl-1,3-thiazole;2-(3-fluorophenyl)-5-(4-fluorophenyl)-4-methyl-1,3-thiazole;5-(4-fluorophenyl)-2-(3-isocyanophenyl)-4-methyl-1,3-thiazole;5-(4-fluorophenyl)-2-(4-methoxyphenyl)-4-methyl-1,3-thiazole;5-(4-fluorophenyl)-4-methyl-2-phenyl-1,3-thiazole;4-(3-isocyanophenyl)-2-methylaniline;3-(3-methyl-4-phenylphenyl)pyridine.

What is the SMILES notation for 2,5-bis(4-fluorophenyl)-4-methyl-1,3-thiazole;2-(3-chloro-4-methylphenyl)-5-(4-fluorophenyl)-4-methyl-1,3-thiazole;2-(2-chlorophenyl)-5-(4-fluorophenyl)-4-methyl-1,3-thiazole;2-(3-chlorophenyl)-5-(4-fluorophenyl)-4-methyl-1,3-thiazole;ethane-1,2-diimine;2-(2-fluorophenyl)-5-(4-fluorophenyl)-4-methyl-1,3-thiazole;2-(3-fluorophenyl)-5-(4-fluorophenyl)-4-methyl-1,3-thiazole;5-(4-fluorophenyl)-2-(3-isocyanophenyl)-4-methyl-1,3-thiazole;5-(4-fluorophenyl)-2-(4-methoxyphenyl)-4-methyl-1,3-thiazole;5-(4-fluorophenyl)-4-methyl-2-phenyl-1,3-thiazole;4-(3-isocyanophenyl)-2-methylaniline;3-(3-methyl-4-phenylphenyl)pyridine?

The canonical SMILES for 2,5-bis(4-fluorophenyl)-4-methyl-1,3-thiazole;2-(3-chloro-4-methylphenyl)-5-(4-fluorophenyl)-4-methyl-1,3-thiazole;2-(2-chlorophenyl)-5-(4-fluorophenyl)-4-methyl-1,3-thiazole;2-(3-chlorophenyl)-5-(4-fluorophenyl)-4-methyl-1,3-thiazole;ethane-1,2-diimine;2-(2-fluorophenyl)-5-(4-fluorophenyl)-4-methyl-1,3-thiazole;2-(3-fluorophenyl)-5-(4-fluorophenyl)-4-methyl-1,3-thiazole;5-(4-fluorophenyl)-2-(3-isocyanophenyl)-4-methyl-1,3-thiazole;5-(4-fluorophenyl)-2-(4-methoxyphenyl)-4-methyl-1,3-thiazole;5-(4-fluorophenyl)-4-methyl-2-phenyl-1,3-thiazole;4-(3-isocyanophenyl)-2-methylaniline;3-(3-methyl-4-phenylphenyl)pyridine is COc1ccc(-c2nc(C)c(-c3ccc(F)cc3)s2)cc1.Cc1cc(-c2cccnc2)ccc1-c1ccccc1.Cc1ccc(-c2nc(C)c(-c3ccc(F)cc3)s2)cc1Cl.Cc1nc(-c2ccc(F)cc2)sc1-c1ccc(F)cc1.Cc1nc(-c2cccc(Cl)c2)sc1-c1ccc(F)cc1.Cc1nc(-c2cccc(F)c2)sc1-c1ccc(F)cc1.Cc1nc(-c2ccccc2)sc1-c1ccc(F)cc1.Cc1nc(-c2ccccc2Cl)sc1-c1ccc(F)cc1.Cc1nc(-c2ccccc2F)sc1-c1ccc(F)cc1.[C-]#[N+]c1cccc(-c2ccc(N)c(C)c2)c1.[C-]#[N+]c1cccc(-c2nc(C)c(-c3ccc(F)cc3)s2)c1.[H]/N=C/C=N/[H].

What is the InChIKey of 2,5-bis(4-fluorophenyl)-4-methyl-1,3-thiazole;2-(3-chloro-4-methylphenyl)-5-(4-fluorophenyl)-4-methyl-1,3-thiazole;2-(2-chlorophenyl)-5-(4-fluorophenyl)-4-methyl-1,3-thiazole;2-(3-chlorophenyl)-5-(4-fluorophenyl)-4-methyl-1,3-thiazole;ethane-1,2-diimine;2-(2-fluorophenyl)-5-(4-fluorophenyl)-4-methyl-1,3-thiazole;2-(3-fluorophenyl)-5-(4-fluorophenyl)-4-methyl-1,3-thiazole;5-(4-fluorophenyl)-2-(3-isocyanophenyl)-4-methyl-1,3-thiazole;5-(4-fluorophenyl)-2-(4-methoxyphenyl)-4-methyl-1,3-thiazole;5-(4-fluorophenyl)-4-methyl-2-phenyl-1,3-thiazole;4-(3-isocyanophenyl)-2-methylaniline;3-(3-methyl-4-phenylphenyl)pyridine?

The InChIKey is ZEDCZKLSCMXGLA-HENCVICESA-N. The full InChI is InChI=1S/C18H15N.C17H13ClFNS.C17H11FN2S.C17H14FNOS.2C16H11ClFNS.3C16H11F2NS.C16H12FNS.C14H12N2.C2H4N2/c1-14-12-16(17-8-5-11-19-13-17)9-10-18(14)15-6-3-2-4-7-15;1-10-3-4-13(9-15(10)18)17-20-11(2)16(21-17)12-5-7-14(19)8-6-12;1-11-16(12-6-8-14(18)9-7-12)21-17(20-11)13-4-3-5-15(10-13)19-2;1-11-16(12-3-7-14(18)8-4-12)21-17(19-11)13-5-9-15(20-2)10-6-13;1-10-15(11-5-7-14(18)8-6-11)20-16(19-10)12-3-2-4-13(17)9-12;1-10-15(11-6-8-12(18)9-7-11)20-16(19-10)13-4-2-3-5-14(13)17;1-10-15(11-2-6-13(17)7-3-11)20-16(19-10)12-4-8-14(18)9-5-12;1-10-15(11-5-7-13(17)8-6-11)20-16(19-10)12-3-2-4-14(18)9-12;1-10-15(11-6-8-12(17)9-7-11)20-16(19-10)13-4-2-3-5-14(13)18;1-11-15(12-7-9-14(17)10-8-12)19-16(18-11)13-5-3-2-4-6-13;1-10-8-12(6-7-14(10)15)11-4-3-5-13(9-11)16-2;3-1-2-4/h2-13H,1H3;3-9H,1-2H3;3-10H,1H3;3-10H,1-2H3;5*2-9H,1H3;2-10H,1H3;3-9H,15H2,1H3;1-4H/b;;;;;;;;;;;3-1+,4-2+.

What are the key properties of 2,5-bis(4-fluorophenyl)-4-methyl-1,3-thiazole;2-(3-chloro-4-methylphenyl)-5-(4-fluorophenyl)-4-methyl-1,3-thiazole;2-(2-chlorophenyl)-5-(4-fluorophenyl)-4-methyl-1,3-thiazole;2-(3-chlorophenyl)-5-(4-fluorophenyl)-4-methyl-1,3-thiazole;ethane-1,2-diimine;2-(2-fluorophenyl)-5-(4-fluorophenyl)-4-methyl-1,3-thiazole;2-(3-fluorophenyl)-5-(4-fluorophenyl)-4-methyl-1,3-thiazole;5-(4-fluorophenyl)-2-(3-isocyanophenyl)-4-methyl-1,3-thiazole;5-(4-fluorophenyl)-2-(4-methoxyphenyl)-4-methyl-1,3-thiazole;5-(4-fluorophenyl)-4-methyl-2-phenyl-1,3-thiazole;4-(3-isocyanophenyl)-2-methylaniline;3-(3-methyl-4-phenylphenyl)pyridine?

2,5-bis(4-fluorophenyl)-4-methyl-1,3-thiazole;2-(3-chloro-4-methylphenyl)-5-(4-fluorophenyl)-4-methyl-1,3-thiazole;2-(2-chlorophenyl)-5-(4-fluorophenyl)-4-methyl-1,3-thiazole;2-(3-chlorophenyl)-5-(4-fluorophenyl)-4-methyl-1,3-thiazole;ethane-1,2-diimine;2-(2-fluorophenyl)-5-(4-fluorophenyl)-4-methyl-1,3-thiazole;2-(3-fluorophenyl)-5-(4-fluorophenyl)-4-methyl-1,3-thiazole;5-(4-fluorophenyl)-2-(3-isocyanophenyl)-4-methyl-1,3-thiazole;5-(4-fluorophenyl)-2-(4-methoxyphenyl)-4-methyl-1,3-thiazole;5-(4-fluorophenyl)-4-methyl-2-phenyl-1,3-thiazole;4-(3-isocyanophenyl)-2-methylaniline;3-(3-methyl-4-phenylphenyl)pyridine has a molecular weight of 3160.12 g/mol, XLogP of 56.37, 23 rotatable bonds, 3 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 2,5-bis(4-fluorophenyl)-4-methyl-1,3-thiazole;2-(3-chloro-4-methylphenyl)-5-(4-fluorophenyl)-4-methyl-1,3-thiazole;2-(2-chlorophenyl)-5-(4-fluorophenyl)-4-methyl-1,3-thiazole;2-(3-chlorophenyl)-5-(4-fluorophenyl)-4-methyl-1,3-thiazole;ethane-1,2-diimine;2-(2-fluorophenyl)-5-(4-fluorophenyl)-4-methyl-1,3-thiazole;2-(3-fluorophenyl)-5-(4-fluorophenyl)-4-methyl-1,3-thiazole;5-(4-fluorophenyl)-2-(3-isocyanophenyl)-4-methyl-1,3-thiazole;5-(4-fluorophenyl)-2-(4-methoxyphenyl)-4-methyl-1,3-thiazole;5-(4-fluorophenyl)-4-methyl-2-phenyl-1,3-thiazole;4-(3-isocyanophenyl)-2-methylaniline;3-(3-methyl-4-phenylphenyl)pyridine is sourced from PubChem (CID 162095056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).