2-(3-fluoro-2,4-dimethylphenyl)pyrimidine;2-(4-fluoro-2-methylphenyl)pyrimidine;5-(4-fluorophenyl)-2-(4-methoxyphenyl)-4-methyl-1,3-thiazole;5-(4-fluorophenyl)-4-methyl-2-phenyl-1,3-thiazole;methane;3-(3-methyl-4-phenylphenyl)pyridine;3-[3-methyl-4-(triazol-2-yl)phenyl]benzonitrile

C93H85F4N11OS2 — CID 160565873

IUPAC2-(3-fluoro-2,4-dimethylphenyl)pyrimidine;2-(4-fluoro-2-methylphenyl)pyrimidine;5-(4-fluorophenyl)-2-(4-methoxyphenyl)-4-methyl-1,3-thiazole;5-(4-fluorophenyl)-4-methyl-2-phenyl-1,3-thiazole;methane;3-(3-methyl-4-phenylphenyl)pyridine;3-[3-methyl-4-(triazol-2-yl)phenyl]benzonitrile
SMILESC.C.C.COc1ccc(-c2nc(C)c(-c3ccc(F)cc3)s2)cc1.Cc1cc(-c2cccc(C#N)c2)ccc1-n1nccn1.Cc1cc(-c2cccnc2)ccc1-c1ccccc1.Cc1cc(F)ccc1-c1ncccn1.Cc1ccc(-c2ncccn2)c(C)c1F.Cc1nc(-c2ccccc2)sc1-c1ccc(F)cc1
InChIInChI=1S/C18H15N.C17H14FNOS.C16H12FNS.C16H12N4.C12H11FN2.C11H9FN2.3CH4/c1-14-12-16(17-8-5-11-19-13-17)9-10-18(14)15-6-3-2-4-7-15;1-11-16(12-3-7-14(18)8-4-12)21-17(19-11)13-5-9-15(20-2)10-6-13;1-11-15(12-7-9-14(17)10-8-12)19-16(18-11)13-5-3-2-4-6-13;1-12-9-15(14-4-2-3-13(10-14)11-17)5-6-16(12)20-18-7-8-19-20;1-8-4-5-10(9(2)11(8)13)12-14-6-3-7-15-12;1-8-7-9(12)3-4-10(8)11-13-5-2-6-14-11;;;/h2-13H,1H3;3-10H,1-2H3;2-10H,1H3;2-10H,1H3;3-7H,1-2H3;2-7H,1H3;3*1H4
InChIKeyQZXJROHMGJRUBY-UHFFFAOYSA-N
MW1512.90 g/mol
LogP25.10
Rot. Bonds11

About 2-(3-fluoro-2,4-dimethylphenyl)pyrimidine;2-(4-fluoro-2-methylphenyl)pyrimidine;5-(4-fluorophenyl)-2-(4-methoxyphenyl)-4-methyl-1,3-thiazole;5-(4-fluorophenyl)-4-methyl-2-phenyl-1,3-thiazole;methane;3-(3-methyl-4-phenylphenyl)pyridine;3-[3-methyl-4-(triazol-2-yl)phenyl]benzonitrile

2-(3-fluoro-2,4-dimethylphenyl)pyrimidine;2-(4-fluoro-2-methylphenyl)pyrimidine;5-(4-fluorophenyl)-2-(4-methoxyphenyl)-4-methyl-1,3-thiazole;5-(4-fluorophenyl)-4-methyl-2-phenyl-1,3-thiazole;methane;3-(3-methyl-4-phenylphenyl)pyridine;3-[3-methyl-4-(triazol-2-yl)phenyl]benzonitrile (PubChem CID 160565873) has the molecular formula C93H85F4N11OS2 and a molecular weight of 1512.90 g/mol. Its IUPAC name is 2-(3-fluoro-2,4-dimethylphenyl)pyrimidine;2-(4-fluoro-2-methylphenyl)pyrimidine;5-(4-fluorophenyl)-2-(4-methoxyphenyl)-4-methyl-1,3-thiazole;5-(4-fluorophenyl)-4-methyl-2-phenyl-1,3-thiazole;methane;3-(3-methyl-4-phenylphenyl)pyridine;3-[3-methyl-4-(triazol-2-yl)phenyl]benzonitrile.

Molecular Properties

Compound Name2-(3-fluoro-2,4-dimethylphenyl)pyrimidine;2-(4-fluoro-2-methylphenyl)pyrimidine;5-(4-fluorophenyl)-2-(4-methoxyphenyl)-4-methyl-1,3-thiazole;5-(4-fluorophenyl)-4-methyl-2-phenyl-1,3-thiazole;methane;3-(3-methyl-4-phenylphenyl)pyridine;3-[3-methyl-4-(triazol-2-yl)phenyl]benzonitrile
PubChem CID160565873
Molecular FormulaC93H85F4N11OS2
Molecular Weight1512.90 g/mol
Exact Mass1511.63
IUPAC Name2-(3-fluoro-2,4-dimethylphenyl)pyrimidine;2-(4-fluoro-2-methylphenyl)pyrimidine;5-(4-fluorophenyl)-2-(4-methoxyphenyl)-4-methyl-1,3-thiazole;5-(4-fluorophenyl)-4-methyl-2-phenyl-1,3-thiazole;methane;3-(3-methyl-4-phenylphenyl)pyridine;3-[3-methyl-4-(triazol-2-yl)phenyl]benzonitrile
SMILESC.C.C.COc1ccc(-c2nc(C)c(-c3ccc(F)cc3)s2)cc1.Cc1cc(-c2cccc(C#N)c2)ccc1-n1nccn1.Cc1cc(-c2cccnc2)ccc1-c1ccccc1.Cc1cc(F)ccc1-c1ncccn1.Cc1ccc(-c2ncccn2)c(C)c1F.Cc1nc(-c2ccccc2)sc1-c1ccc(F)cc1
InChIInChI=1S/C18H15N.C17H14FNOS.C16H12FNS.C16H12N4.C12H11FN2.C11H9FN2.3CH4/c1-14-12-16(17-8-5-11-19-13-17)9-10-18(14)15-6-3-2-4-7-15;1-11-16(12-3-7-14(18)8-4-12)21-17(19-11)13-5-9-15(20-2)10-6-13;1-11-15(12-7-9-14(17)10-8-12)19-16(18-11)13-5-3-2-4-6-13;1-12-9-15(14-4-2-3-13(10-14)11-17)5-6-16(12)20-18-7-8-19-20;1-8-4-5-10(9(2)11(8)13)12-14-6-3-7-15-12;1-8-7-9(12)3-4-10(8)11-13-5-2-6-14-11;;;/h2-13H,1H3;3-10H,1-2H3;2-10H,1H3;2-10H,1H3;3-7H,1-2H3;2-7H,1H3;3*1H4
InChIKeyQZXJROHMGJRUBY-UHFFFAOYSA-N
XLogP25.10
TPSA153.96 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds11
Heavy Atoms111
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001512.90
LogP ≤ 525.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze 2-(3-fluoro-2,4-dimethylphenyl)pyrimidine;2-(4-fluoro-2-methylphenyl)pyrimidine;5-(4-fluorophenyl)-2-(4-methoxyphenyl)-4-methyl-1,3-thiazole;5-(4-fluorophenyl)-4-methyl-2-phenyl-1,3-thiazole;methane;3-(3-methyl-4-phenylphenyl)pyridine;3-[3-methyl-4-(triazol-2-yl)phenyl]benzonitrile with MolForge

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Related Compounds

4-[4-(1-Benzothiophen-2-yl)-2-methoxy-5-methylphenyl]pyridine;2-(2,5-dimethyl-4-pyridin-4-ylphenyl)pyrazine;4-isocyano-5-pyridazin-3-yl-2-pyridin-4-ylbenzonitrile;4-[2-methyl-4-pyridin-4-yl-5-(trifluoromethyl)phenyl]quinoline;2-methyl-4-(2,3,5,6-tetrafluoro-4-pyridin-4-ylphenyl)pyrimidine;2-(4-pyridin-4-ylphenyl)pyrimidine;4-(4-pyridin-4-ylphenyl)quinoline
CID 158849364
2-(2-Chlorophenyl)-5-(4-fluorophenyl)-4-methyl-1,3-thiazole;2-(3-fluoro-2,4-dimethylphenyl)pyrimidine;5-(4-fluorophenyl)-2-(4-methoxyphenyl)-4-methyl-1,3-thiazole;5-(4-fluorophenyl)-4-methyl-2-phenyl-1,3-thiazole;3-(3-methyl-4-phenylphenyl)pyridine;3-[3-methyl-4-(triazol-2-yl)phenyl]benzonitrile
CID 157156290

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-2,4-dimethylphenyl)pyrimidine;2-(4-fluoro-2-methylphenyl)pyrimidine;5-(4-fluorophenyl)-2-(4-methoxyphenyl)-4-methyl-1,3-thiazole;5-(4-fluorophenyl)-4-methyl-2-phenyl-1,3-thiazole;methane;3-(3-methyl-4-phenylphenyl)pyridine;3-[3-methyl-4-(triazol-2-yl)phenyl]benzonitrile?
The IUPAC name of 2-(3-fluoro-2,4-dimethylphenyl)pyrimidine;2-(4-fluoro-2-methylphenyl)pyrimidine;5-(4-fluorophenyl)-2-(4-methoxyphenyl)-4-methyl-1,3-thiazole;5-(4-fluorophenyl)-4-methyl-2-phenyl-1,3-thiazole;methane;3-(3-methyl-4-phenylphenyl)pyridine;3-[3-methyl-4-(triazol-2-yl)phenyl]benzonitrile (CID 160565873) is 2-(3-fluoro-2,4-dimethylphenyl)pyrimidine;2-(4-fluoro-2-methylphenyl)pyrimidine;5-(4-fluorophenyl)-2-(4-methoxyphenyl)-4-methyl-1,3-thiazole;5-(4-fluorophenyl)-4-methyl-2-phenyl-1,3-thiazole;methane;3-(3-methyl-4-phenylphenyl)pyridine;3-[3-methyl-4-(triazol-2-yl)phenyl]benzonitrile.
What is the SMILES notation for 2-(3-fluoro-2,4-dimethylphenyl)pyrimidine;2-(4-fluoro-2-methylphenyl)pyrimidine;5-(4-fluorophenyl)-2-(4-methoxyphenyl)-4-methyl-1,3-thiazole;5-(4-fluorophenyl)-4-methyl-2-phenyl-1,3-thiazole;methane;3-(3-methyl-4-phenylphenyl)pyridine;3-[3-methyl-4-(triazol-2-yl)phenyl]benzonitrile?
The canonical SMILES for 2-(3-fluoro-2,4-dimethylphenyl)pyrimidine;2-(4-fluoro-2-methylphenyl)pyrimidine;5-(4-fluorophenyl)-2-(4-methoxyphenyl)-4-methyl-1,3-thiazole;5-(4-fluorophenyl)-4-methyl-2-phenyl-1,3-thiazole;methane;3-(3-methyl-4-phenylphenyl)pyridine;3-[3-methyl-4-(triazol-2-yl)phenyl]benzonitrile is C.C.C.COc1ccc(-c2nc(C)c(-c3ccc(F)cc3)s2)cc1.Cc1cc(-c2cccc(C#N)c2)ccc1-n1nccn1.Cc1cc(-c2cccnc2)ccc1-c1ccccc1.Cc1cc(F)ccc1-c1ncccn1.Cc1ccc(-c2ncccn2)c(C)c1F.Cc1nc(-c2ccccc2)sc1-c1ccc(F)cc1.
What is the InChIKey of 2-(3-fluoro-2,4-dimethylphenyl)pyrimidine;2-(4-fluoro-2-methylphenyl)pyrimidine;5-(4-fluorophenyl)-2-(4-methoxyphenyl)-4-methyl-1,3-thiazole;5-(4-fluorophenyl)-4-methyl-2-phenyl-1,3-thiazole;methane;3-(3-methyl-4-phenylphenyl)pyridine;3-[3-methyl-4-(triazol-2-yl)phenyl]benzonitrile?
The InChIKey is QZXJROHMGJRUBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N.C17H14FNOS.C16H12FNS.C16H12N4.C12H11FN2.C11H9FN2.3CH4/c1-14-12-16(17-8-5-11-19-13-17)9-10-18(14)15-6-3-2-4-7-15;1-11-16(12-3-7-14(18)8-4-12)21-17(19-11)13-5-9-15(20-2)10-6-13;1-11-15(12-7-9-14(17)10-8-12)19-16(18-11)13-5-3-2-4-6-13;1-12-9-15(14-4-2-3-13(10-14)11-17)5-6-16(12)20-18-7-8-19-20;1-8-4-5-10(9(2)11(8)13)12-14-6-3-7-15-12;1-8-7-9(12)3-4-10(8)11-13-5-2-6-14-11;;;/h2-13H,1H3;3-10H,1-2H3;2-10H,1H3;2-10H,1H3;3-7H,1-2H3;2-7H,1H3;3*1H4.
What are the key properties of 2-(3-fluoro-2,4-dimethylphenyl)pyrimidine;2-(4-fluoro-2-methylphenyl)pyrimidine;5-(4-fluorophenyl)-2-(4-methoxyphenyl)-4-methyl-1,3-thiazole;5-(4-fluorophenyl)-4-methyl-2-phenyl-1,3-thiazole;methane;3-(3-methyl-4-phenylphenyl)pyridine;3-[3-methyl-4-(triazol-2-yl)phenyl]benzonitrile?
2-(3-fluoro-2,4-dimethylphenyl)pyrimidine;2-(4-fluoro-2-methylphenyl)pyrimidine;5-(4-fluorophenyl)-2-(4-methoxyphenyl)-4-methyl-1,3-thiazole;5-(4-fluorophenyl)-4-methyl-2-phenyl-1,3-thiazole;methane;3-(3-methyl-4-phenylphenyl)pyridine;3-[3-methyl-4-(triazol-2-yl)phenyl]benzonitrile has a molecular weight of 1512.90 g/mol, XLogP of 25.10, 11 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-2,4-dimethylphenyl)pyrimidine;2-(4-fluoro-2-methylphenyl)pyrimidine;5-(4-fluorophenyl)-2-(4-methoxyphenyl)-4-methyl-1,3-thiazole;5-(4-fluorophenyl)-4-methyl-2-phenyl-1,3-thiazole;methane;3-(3-methyl-4-phenylphenyl)pyridine;3-[3-methyl-4-(triazol-2-yl)phenyl]benzonitrile is sourced from PubChem (CID 160565873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).