2-(3,4-dimethylphenyl)-5-(4-fluorophenyl)-4-methyl-1,3-thiazole;2-(2-fluoro-3-methylphenyl)-5-(4-fluorophenyl)-4-methyl-1,3-thiazole;2-(2-fluoro-5-methylphenyl)-5-(4-fluorophenyl)-4-methyl-1,3-thiazole;2-(3-methoxyphenyl)-4-methyl-5-(4-methylphenyl)-1,3-thiazole

C70H59F5N4OS4 — CID 159111861

IUPAC2-(3,4-dimethylphenyl)-5-(4-fluorophenyl)-4-methyl-1,3-thiazole;2-(2-fluoro-3-methylphenyl)-5-(4-fluorophenyl)-4-methyl-1,3-thiazole;2-(2-fluoro-5-methylphenyl)-5-(4-fluorophenyl)-4-methyl-1,3-thiazole;2-(3-methoxyphenyl)-4-methyl-5-(4-methylphenyl)-1,3-thiazole
SMILESCOc1cccc(-c2nc(C)c(-c3ccc(C)cc3)s2)c1.Cc1ccc(-c2nc(C)c(-c3ccc(F)cc3)s2)cc1C.Cc1ccc(F)c(-c2nc(C)c(-c3ccc(F)cc3)s2)c1.Cc1cccc(-c2nc(C)c(-c3ccc(F)cc3)s2)c1F
InChIInChI=1S/C18H16FNS.C18H17NOS.2C17H13F2NS/c1-11-4-5-15(10-12(11)2)18-20-13(3)17(21-18)14-6-8-16(19)9-7-14;1-12-7-9-14(10-8-12)17-13(2)19-18(21-17)15-5-4-6-16(11-15)20-3;1-10-3-8-15(19)14(9-10)17-20-11(2)16(21-17)12-4-6-13(18)7-5-12;1-10-4-3-5-14(15(10)19)17-20-11(2)16(21-17)12-6-8-13(18)9-7-12/h4-10H,1-3H3;4-11H,1-3H3;2*3-9H,1-2H3
InChIKeyKEPHMVHIYQXIDJ-UHFFFAOYSA-N
MW1195.53 g/mol
LogP21.39
Rot. Bonds9

About 2-(3,4-dimethylphenyl)-5-(4-fluorophenyl)-4-methyl-1,3-thiazole;2-(2-fluoro-3-methylphenyl)-5-(4-fluorophenyl)-4-methyl-1,3-thiazole;2-(2-fluoro-5-methylphenyl)-5-(4-fluorophenyl)-4-methyl-1,3-thiazole;2-(3-methoxyphenyl)-4-methyl-5-(4-methylphenyl)-1,3-thiazole

2-(3,4-dimethylphenyl)-5-(4-fluorophenyl)-4-methyl-1,3-thiazole;2-(2-fluoro-3-methylphenyl)-5-(4-fluorophenyl)-4-methyl-1,3-thiazole;2-(2-fluoro-5-methylphenyl)-5-(4-fluorophenyl)-4-methyl-1,3-thiazole;2-(3-methoxyphenyl)-4-methyl-5-(4-methylphenyl)-1,3-thiazole (PubChem CID 159111861) has the molecular formula C70H59F5N4OS4 and a molecular weight of 1195.53 g/mol. Its IUPAC name is 2-(3,4-dimethylphenyl)-5-(4-fluorophenyl)-4-methyl-1,3-thiazole;2-(2-fluoro-3-methylphenyl)-5-(4-fluorophenyl)-4-methyl-1,3-thiazole;2-(2-fluoro-5-methylphenyl)-5-(4-fluorophenyl)-4-methyl-1,3-thiazole;2-(3-methoxyphenyl)-4-methyl-5-(4-methylphenyl)-1,3-thiazole.

Molecular Properties

Compound Name2-(3,4-dimethylphenyl)-5-(4-fluorophenyl)-4-methyl-1,3-thiazole;2-(2-fluoro-3-methylphenyl)-5-(4-fluorophenyl)-4-methyl-1,3-thiazole;2-(2-fluoro-5-methylphenyl)-5-(4-fluorophenyl)-4-methyl-1,3-thiazole;2-(3-methoxyphenyl)-4-methyl-5-(4-methylphenyl)-1,3-thiazole
PubChem CID159111861
Molecular FormulaC70H59F5N4OS4
Molecular Weight1195.53 g/mol
Exact Mass1194.35
IUPAC Name2-(3,4-dimethylphenyl)-5-(4-fluorophenyl)-4-methyl-1,3-thiazole;2-(2-fluoro-3-methylphenyl)-5-(4-fluorophenyl)-4-methyl-1,3-thiazole;2-(2-fluoro-5-methylphenyl)-5-(4-fluorophenyl)-4-methyl-1,3-thiazole;2-(3-methoxyphenyl)-4-methyl-5-(4-methylphenyl)-1,3-thiazole
SMILESCOc1cccc(-c2nc(C)c(-c3ccc(C)cc3)s2)c1.Cc1ccc(-c2nc(C)c(-c3ccc(F)cc3)s2)cc1C.Cc1ccc(F)c(-c2nc(C)c(-c3ccc(F)cc3)s2)c1.Cc1cccc(-c2nc(C)c(-c3ccc(F)cc3)s2)c1F
InChIInChI=1S/C18H16FNS.C18H17NOS.2C17H13F2NS/c1-11-4-5-15(10-12(11)2)18-20-13(3)17(21-18)14-6-8-16(19)9-7-14;1-12-7-9-14(10-8-12)17-13(2)19-18(21-17)15-5-4-6-16(11-15)20-3;1-10-3-8-15(19)14(9-10)17-20-11(2)16(21-17)12-4-6-13(18)7-5-12;1-10-4-3-5-14(15(10)19)17-20-11(2)16(21-17)12-6-8-13(18)9-7-12/h4-10H,1-3H3;4-11H,1-3H3;2*3-9H,1-2H3
InChIKeyKEPHMVHIYQXIDJ-UHFFFAOYSA-N
XLogP21.39
TPSA60.79 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms84
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001195.53
LogP ≤ 521.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 2-(3,4-dimethylphenyl)-5-(4-fluorophenyl)-4-methyl-1,3-thiazole;2-(2-fluoro-3-methylphenyl)-5-(4-fluorophenyl)-4-methyl-1,3-thiazole;2-(2-fluoro-5-methylphenyl)-5-(4-fluorophenyl)-4-methyl-1,3-thiazole;2-(3-methoxyphenyl)-4-methyl-5-(4-methylphenyl)-1,3-thiazole with MolForge

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Related Compounds

4-[3,3,4,4,5,5-Hexafluoro-2-[2-(4-methoxyphenyl)-5-methyl-1,3-thiazol-4-yl]cyclopenten-1-yl]-2-(4-methoxyphenyl)-5-methyl-1,3-thiazole
CID 139046228
4-Ethyl-5-[2-[4-ethyl-2-[4-(4-methoxyphenyl)phenyl]-1,3-thiazol-5-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-2-[5-(5-methylthiophen-2-yl)thiophen-2-yl]-1,3-thiazole
CID 21044731
5-[3,3,4,4,5,5-Hexafluoro-2-[2-[4-(4-methoxyphenyl)phenyl]-4-methyl-1,3-thiazol-5-yl]cyclopenten-1-yl]-2-[4-(4-methoxyphenyl)phenyl]-4-methyl-1,3-thiazole
CID 21044734
4-[[5-Fluoro-2-[2-(2-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]phenyl]methyl]-2-(2-fluoro-4-methylphenyl)-5-(4-fluorophenyl)-1,3-thiazole
CID 139441402
4-Ethyl-5-[2-[4-ethyl-2-[4-(4-methoxyphenyl)phenyl]-1,3-thiazol-5-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-2-[5-(5-methylthiophen-2-yl)thiophen-2-yl]-1,3-thiazole;5-[3,3,4,4,5,5-hexafluoro-2-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]cyclopenten-1-yl]-4-methyl-2-(5-methylthiophen-2-yl)-1,3-thiazole;5-[3,3,4,4,5,5-hexafluoro-2-[2-[4-(4-methoxyphenyl)phenyl]-4-methyl-1,3-thiazol-5-yl]cyclopenten-1-yl]-2-[4-(4-methoxyphenyl)phenyl]-4-methyl-1,3-thiazole;5-[3,3,4,4,5,5-hexafluoro-2-[4-methyl-2-(5-methylthiophen-2-yl)-1,3-thiazol-5-yl]cyclopenten-1-yl]-4-methyl-2-(5-methylthiophen-2-yl)-1,3-thiazole
CID 157482050
2-[4-[2-[4-(4-Fluorophenyl)phenyl]-1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]selanyl-2-methylphenoxy]acetic acid;2-[2-methyl-4-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]-2-(4-phenylphenyl)ethyl]selanylphenoxy]acetic acid;2-[2-methyl-4-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]-2-[4-[3-(trifluoromethyl)phenyl]phenyl]ethyl]selanylphenoxy]acetic acid;2-[2-methyl-4-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]-2-[4-(3,4,5-trifluorophenyl)phenyl]ethyl]selanylphenoxy]acetic acid
CID 158113305
4-(3-Chlorophenyl)-2,5-dimethyl-1,3-thiazole;2,5-dimethyl-4-(4-methylphenyl)-1,3-thiazole;2,5-dimethyl-4-[3-(trifluoromethyl)phenyl]-1,3-thiazole;4-(4-fluorophenyl)-2,5-dimethyl-1,3-thiazole;4-(3-methoxyphenyl)-2,5-dimethyl-1,3-thiazole
CID 159759965
Tetrakis(5-[(2-methoxy-5-methylphenoxy)methyl]-4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole) disulfide
CID 173142709
2-(3,4-Dimethylphenyl)-5-(4-fluorophenyl)-4-methyl-1,3-thiazole;2-(2-fluoro-3-methylphenyl)-5-(4-fluorophenyl)-4-methyl-1,3-thiazole;2-(2-fluoro-4-methylphenyl)-5-(4-fluorophenyl)-4-methyl-1,3-thiazole;2-(2-fluoro-5-methylphenyl)-5-(4-fluorophenyl)-4-methyl-1,3-thiazole;2-(3-fluoro-4-methylphenyl)-5-(4-fluorophenyl)-4-methyl-1,3-thiazole;2-(4-fluoro-2-methylphenyl)-5-(4-fluorophenyl)-4-methyl-1,3-thiazole;5-(4-fluorophenyl)-2-(2-methoxyphenyl)-4-methyl-1,3-thiazole;5-(4-fluorophenyl)-4-methyl-2-(2-methylphenyl)-1,3-thiazole;5-(4-fluorophenyl)-4-methyl-2-(3-methylphenyl)-1,3-thiazole;5-(4-fluorophenyl)-4-methyl-2-(4-methylphenyl)-1,3-thiazole;2-(3-methoxyphenyl)-4-methyl-5-(4-methylphenyl)-1,3-thiazole
CID 157500146
5-(4-Chlorophenyl)-2,4-dimethyl-1,3-thiazole;2,4-dimethyl-1-phenylbenzene;2,4-dimethyl-5-phenyl-1,3-thiazole;3-fluoro-1-(2-fluorophenyl)-4-methoxy-2-methylbenzene;3-fluoro-1-(3-fluorophenyl)-4-methoxy-2-methylbenzene;3-fluoro-1-(4-fluorophenyl)-4-methoxy-2-methylbenzene;2-fluoro-1-methoxy-4-(3-methoxyphenyl)-3-methylbenzene;2-fluoro-1-methoxy-4-(4-methoxyphenyl)-3-methylbenzene;bis(2-fluoro-1-methoxy-3-methyl-4-(3-methylphenyl)benzene);2-fluoro-1-methoxy-3-methyl-4-(4-methylphenyl)benzene;5-(4-fluorophenyl)-2,4-dimethyl-1,3-thiazole;methane
CID 157611461
4-(4,5-Dimethoxy-2-methylphenyl)-2-methoxy-1,3-thiazole;4-(2,5-dimethylphenyl)-2-methoxy-1,3-thiazole;2-ethoxy-4-(5-methoxy-2-methylphenyl)-1,3-thiazole;4-(5-fluoro-4-methoxy-2-methylphenyl)-2-methoxy-1,3-thiazole;4-(4-fluoro-2-methylphenyl)-2-methoxy-1,3-thiazole;2-methoxy-4-(5-methoxy-2-methylphenyl)-1,3-thiazole
CID 160302379
2-(2-Fluoro-4-methylphenyl)-5-(4-fluorophenyl)-4-methyl-1,3-thiazole;2-(4-fluoro-2-methylphenyl)-5-(4-fluorophenyl)-4-methyl-1,3-thiazole;2-(4-fluoro-3-methylphenyl)-5-(4-fluorophenyl)-4-methyl-1,3-thiazole;5-(4-fluorophenyl)-2-(2-methoxyphenyl)-4-methyl-1,3-thiazole;5-(4-fluorophenyl)-4-methyl-2-(2-methylphenyl)-1,3-thiazole;5-(4-fluorophenyl)-4-methyl-2-(3-methylphenyl)-1,3-thiazole;5-(4-fluorophenyl)-4-methyl-2-(4-methylphenyl)-1,3-thiazole
CID 160713905

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenyl)-5-(4-fluorophenyl)-4-methyl-1,3-thiazole;2-(2-fluoro-3-methylphenyl)-5-(4-fluorophenyl)-4-methyl-1,3-thiazole;2-(2-fluoro-5-methylphenyl)-5-(4-fluorophenyl)-4-methyl-1,3-thiazole;2-(3-methoxyphenyl)-4-methyl-5-(4-methylphenyl)-1,3-thiazole?
The IUPAC name of 2-(3,4-dimethylphenyl)-5-(4-fluorophenyl)-4-methyl-1,3-thiazole;2-(2-fluoro-3-methylphenyl)-5-(4-fluorophenyl)-4-methyl-1,3-thiazole;2-(2-fluoro-5-methylphenyl)-5-(4-fluorophenyl)-4-methyl-1,3-thiazole;2-(3-methoxyphenyl)-4-methyl-5-(4-methylphenyl)-1,3-thiazole (CID 159111861) is 2-(3,4-dimethylphenyl)-5-(4-fluorophenyl)-4-methyl-1,3-thiazole;2-(2-fluoro-3-methylphenyl)-5-(4-fluorophenyl)-4-methyl-1,3-thiazole;2-(2-fluoro-5-methylphenyl)-5-(4-fluorophenyl)-4-methyl-1,3-thiazole;2-(3-methoxyphenyl)-4-methyl-5-(4-methylphenyl)-1,3-thiazole.
What is the SMILES notation for 2-(3,4-dimethylphenyl)-5-(4-fluorophenyl)-4-methyl-1,3-thiazole;2-(2-fluoro-3-methylphenyl)-5-(4-fluorophenyl)-4-methyl-1,3-thiazole;2-(2-fluoro-5-methylphenyl)-5-(4-fluorophenyl)-4-methyl-1,3-thiazole;2-(3-methoxyphenyl)-4-methyl-5-(4-methylphenyl)-1,3-thiazole?
The canonical SMILES for 2-(3,4-dimethylphenyl)-5-(4-fluorophenyl)-4-methyl-1,3-thiazole;2-(2-fluoro-3-methylphenyl)-5-(4-fluorophenyl)-4-methyl-1,3-thiazole;2-(2-fluoro-5-methylphenyl)-5-(4-fluorophenyl)-4-methyl-1,3-thiazole;2-(3-methoxyphenyl)-4-methyl-5-(4-methylphenyl)-1,3-thiazole is COc1cccc(-c2nc(C)c(-c3ccc(C)cc3)s2)c1.Cc1ccc(-c2nc(C)c(-c3ccc(F)cc3)s2)cc1C.Cc1ccc(F)c(-c2nc(C)c(-c3ccc(F)cc3)s2)c1.Cc1cccc(-c2nc(C)c(-c3ccc(F)cc3)s2)c1F.
What is the InChIKey of 2-(3,4-dimethylphenyl)-5-(4-fluorophenyl)-4-methyl-1,3-thiazole;2-(2-fluoro-3-methylphenyl)-5-(4-fluorophenyl)-4-methyl-1,3-thiazole;2-(2-fluoro-5-methylphenyl)-5-(4-fluorophenyl)-4-methyl-1,3-thiazole;2-(3-methoxyphenyl)-4-methyl-5-(4-methylphenyl)-1,3-thiazole?
The InChIKey is KEPHMVHIYQXIDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FNS.C18H17NOS.2C17H13F2NS/c1-11-4-5-15(10-12(11)2)18-20-13(3)17(21-18)14-6-8-16(19)9-7-14;1-12-7-9-14(10-8-12)17-13(2)19-18(21-17)15-5-4-6-16(11-15)20-3;1-10-3-8-15(19)14(9-10)17-20-11(2)16(21-17)12-4-6-13(18)7-5-12;1-10-4-3-5-14(15(10)19)17-20-11(2)16(21-17)12-6-8-13(18)9-7-12/h4-10H,1-3H3;4-11H,1-3H3;2*3-9H,1-2H3.
What are the key properties of 2-(3,4-dimethylphenyl)-5-(4-fluorophenyl)-4-methyl-1,3-thiazole;2-(2-fluoro-3-methylphenyl)-5-(4-fluorophenyl)-4-methyl-1,3-thiazole;2-(2-fluoro-5-methylphenyl)-5-(4-fluorophenyl)-4-methyl-1,3-thiazole;2-(3-methoxyphenyl)-4-methyl-5-(4-methylphenyl)-1,3-thiazole?
2-(3,4-dimethylphenyl)-5-(4-fluorophenyl)-4-methyl-1,3-thiazole;2-(2-fluoro-3-methylphenyl)-5-(4-fluorophenyl)-4-methyl-1,3-thiazole;2-(2-fluoro-5-methylphenyl)-5-(4-fluorophenyl)-4-methyl-1,3-thiazole;2-(3-methoxyphenyl)-4-methyl-5-(4-methylphenyl)-1,3-thiazole has a molecular weight of 1195.53 g/mol, XLogP of 21.39, 9 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenyl)-5-(4-fluorophenyl)-4-methyl-1,3-thiazole;2-(2-fluoro-3-methylphenyl)-5-(4-fluorophenyl)-4-methyl-1,3-thiazole;2-(2-fluoro-5-methylphenyl)-5-(4-fluorophenyl)-4-methyl-1,3-thiazole;2-(3-methoxyphenyl)-4-methyl-5-(4-methylphenyl)-1,3-thiazole is sourced from PubChem (CID 159111861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).