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-(4-methylphenyl)-1,3-thiazole;5-(4-fluorophenyl)-4-methyl-2-phenyl-1,3-thiazole;4-(3-isocyanophenyl)-2-methylaniline;3-(3-methyl-4-phenylphenyl)pyridine
C198H150Cl3F13N16OS10 — CID 158971140
Data last refreshed: (MolForge compound catalog, from PubChem)
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-(4-methylphenyl)-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-(4-methylphenyl)-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 158971140) has the molecular formula C198H150Cl3F13N16OS10 and a molecular weight of 3443.49 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-(4-methylphenyl)-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-(4-methylphenyl)-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 | 158971140 |
| Molecular Formula | C198H150Cl3F13N16OS10 |
| Molecular Weight | 3443.49 g/mol |
| Exact Mass | 3438.82 |
| 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-(4-methylphenyl)-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)cc1.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.C17H14FNS.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;1-11-3-5-14(6-4-11)17-19-12(2)16(20-17)13-7-9-15(18)10-8-13;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;3-10H,1-2H3;5*2-9H,1H3;2-10H,1H3;3-9H,15H2,1H3;1-4H/b;;;;;;;;;;;;3-1+,4-2+ |
| InChIKey | JNVIDKHCDXTIKF-MEIYTGAZSA-N |
| XLogP | 61.60 |
| TPSA | 233.46 Ų |
| H-Bond Donors | 3 |
| H-Bond Acceptors | 25 |
| Rotatable Bonds | 25 |
| Heavy Atoms | 241 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3443.49 |
| LogP ≤ 5 | 61.60 |
| H-Bond Donors ≤ 5 | 3 |
| H-Bond Acceptors ≤ 10 | 25 |
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'} |
|---|
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Sources
- PubChem CID 158971140 — identifiers, structure, computed properties (public domain)
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