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

C95H75ClF4N10OS3 — CID 157156290

IUPAC2-(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
SMILESCOc1ccc(-c2nc(C)c(-c3ccc(F)cc3)s2)cc1.Cc1cc(-c2cccc(C#N)c2)ccc1-n1nccn1.Cc1cc(-c2cccnc2)ccc1-c1ccccc1.Cc1ccc(-c2ncccn2)c(C)c1F.Cc1nc(-c2ccccc2)sc1-c1ccc(F)cc1.Cc1nc(-c2ccccc2Cl)sc1-c1ccc(F)cc1
InChIInChI=1S/C18H15N.C17H14FNOS.C16H11ClFNS.C16H12FNS.C16H12N4.C12H11FN2/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;1-10-15(11-6-8-12(18)9-7-11)20-16(19-10)13-4-2-3-5-14(13)17;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/h2-13H,1H3;3-10H,1-2H3;2-9H,1H3;2-10H,1H3;2-10H,1H3;3-7H,1-2H3
InChIKeyALVQOCURJWAZMM-UHFFFAOYSA-N
MW1580.36 g/mol
LogP26.17
Rot. Bonds12

About 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

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 (PubChem CID 157156290) has the molecular formula C95H75ClF4N10OS3 and a molecular weight of 1580.36 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-(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
PubChem CID157156290
Molecular FormulaC95H75ClF4N10OS3
Molecular Weight1580.36 g/mol
Exact Mass1578.49
IUPAC Name2-(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
SMILESCOc1ccc(-c2nc(C)c(-c3ccc(F)cc3)s2)cc1.Cc1cc(-c2cccc(C#N)c2)ccc1-n1nccn1.Cc1cc(-c2cccnc2)ccc1-c1ccccc1.Cc1ccc(-c2ncccn2)c(C)c1F.Cc1nc(-c2ccccc2)sc1-c1ccc(F)cc1.Cc1nc(-c2ccccc2Cl)sc1-c1ccc(F)cc1
InChIInChI=1S/C18H15N.C17H14FNOS.C16H11ClFNS.C16H12FNS.C16H12N4.C12H11FN2/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;1-10-15(11-6-8-12(18)9-7-11)20-16(19-10)13-4-2-3-5-14(13)17;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/h2-13H,1H3;3-10H,1-2H3;2-9H,1H3;2-10H,1H3;2-10H,1H3;3-7H,1-2H3
InChIKeyALVQOCURJWAZMM-UHFFFAOYSA-N
XLogP26.17
TPSA141.07 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds12
Heavy Atoms114
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001580.36
LogP ≤ 526.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze 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 with MolForge

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Related Compounds

1-[2-tert-butyl-3-(2-chlorophenyl)-2-(2,4-difluorophenyl)but-3-enyl]-1,2,4-triazole;1-[2-(2,4-difluorophenyl)-3,3-dimethyl-2-[(1S)-1-[4-(2-methylpyrazol-3-yl)phenyl]ethyl]butyl]-1,2,4-triazole;1-[2-(2,4-difluorophenyl)-3,3-dimethyl-2-(pyrazol-1-ylmethyl)butyl]-1,2,4-triazole;1-[2-(2,4-difluorophenyl)-3,3-dimethyl-2-(1,2,4-triazol-1-ylmethyl)butyl]-3-[(E)-2-[4-(2,2,3-trifluorobutoxy)phenyl]ethenyl]-1,2,4-triazole;2-[(2R)-3-(2,4-difluorophenyl)-4,4-dimethyl-3-(1,2,4-triazol-1-ylmethyl)pentan-2-yl]-3-fluoropyridine;2-[(2R)-3-(2,4-difluorophenyl)-4,4-dimethyl-3-(1,2,4-triazol-1-ylmethyl)pentan-2-yl]-4-(4-methylphenyl)-1,3-thiazole;methane
CID 157726571
2-(2-Chlorophenyl)-5-(4-fluorophenyl)-4-methyl-1,3-thiazole;2-(3-chlorophenyl)-5-(4-fluorophenyl)-4-methyl-1,3-thiazole;3-(2,5-dimethylphenyl)pyridine;2-(2,4-dimethylphenyl)pyrimidine;2-(2,5-dimethylphenyl)pyrimidine;ethane-1,2-diimine;2-fluoro-1,3-dimethyl-4-phenylbenzene;2-(3-fluoro-2,4-dimethylphenyl)pyridine;bis(2-(3-fluoro-2,4-dimethylphenyl)pyrimidine);2-(4-fluoro-2-methylphenyl)pyridine;3-(4-fluoro-2-methylphenyl)pyridine;2-(3-fluoro-2-methylphenyl)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;4-(3-isocyanophenyl)-2-methylaniline;3-(3-methyl-4-phenylphenyl)pyridine
CID 157919541
1-Chloro-4-ethylbenzene;1-chloro-4-ethyl-2-methylbenzene;ethylbenzene;4-ethylbenzonitrile;1-ethyl-2-fluorobenzene;1-ethyl-4-fluorobenzene;1-ethyl-4-fluoro-2-methylbenzene;1-ethyl-4-methoxybenzene;2-ethylpyrazine;4-ethylpyridine;2-ethylpyrimidine;5-ethyl-1,3-thiazole;2-ethylthiophene;4-methyloxane;propylbenzene;toluene
CID 158355272
2-(4-Chloro-2-methylphenyl)triazole;2,4-dimethylaniline;1-(2,4-dimethylphenyl)pyrazole;2-(2,3-dimethylphenyl)pyrimidine;2-(2,4-dimethylphenyl)pyrimidine;2-(2,5-dimethylphenyl)triazole;2,6-dimethyl-3-pyrazol-1-ylpyridine;2,6-dimethyl-3-(triazol-2-yl)pyridine;tris(ethane-1,2-diimine);2-(3-fluoro-2,4-dimethylphenyl)pyrimidine;2-(3-fluoro-2,4-dimethylphenyl)triazole;2-(3-fluoro-4-methoxy-2-methylphenyl)triazole;2-(4-fluoro-2-methylphenyl)triazole;4-(3-isocyanophenyl)-2-methylaniline;4-methoxy-2-methylaniline;4-methyl-5-(4-methylphenyl)-2-phenyl-1,3-thiazole;2-(2-methylphenyl)triazole;2-(2,4,5-trimethylphenyl)triazole
CID 159997750
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
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;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-(4-methoxyphenyl)-4-methyl-1,3-thiazole;5-(4-fluorophenyl)-4-methyl-2-phenyl-1,3-thiazole;2-[4-(3-isocyanophenyl)-2-methylphenyl]triazole;3-(3-methyl-4-phenylphenyl)pyridine
CID 162101645

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1ccc(-c2nc(C)c(-c3ccc(F)cc3)s2)cc1.Cc1cc(-c2cccc(C#N)c2)ccc1-n1nccn1.Cc1cc(-c2cccnc2)ccc1-c1ccccc1.Cc1ccc(-c2ncccn2)c(C)c1F.Cc1nc(-c2ccccc2)sc1-c1ccc(F)cc1.Cc1nc(-c2ccccc2Cl)sc1-c1ccc(F)cc1.
What is the InChIKey of 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?
The InChIKey is ALVQOCURJWAZMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N.C17H14FNOS.C16H11ClFNS.C16H12FNS.C16H12N4.C12H11FN2/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;1-10-15(11-6-8-12(18)9-7-11)20-16(19-10)13-4-2-3-5-14(13)17;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/h2-13H,1H3;3-10H,1-2H3;2-9H,1H3;2-10H,1H3;2-10H,1H3;3-7H,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 1580.36 g/mol, XLogP of 26.17, 12 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157156290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).