4-[2-[6-(5-fluoro-2-methoxyphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;3-fluoro-5-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]-2-pyridinyl]benzonitrile;4-[2-[6-(2-fluorophenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;4-[2-[6-(3-fluorophenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;2-methyl-4-[2-[6-(2-methylphenyl)-3-pyridinyl]ethynyl]-1,3-thiazole;2-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]-2-pyridinyl]benzonitrile

C106H70F4N14OS6 — CID 159573398

IUPAC4-[2-[6-(5-fluoro-2-methoxyphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;3-fluoro-5-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]-2-pyridinyl]benzonitrile;4-[2-[6-(2-fluorophenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;4-[2-[6-(3-fluorophenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;2-methyl-4-[2-[6-(2-methylphenyl)-3-pyridinyl]ethynyl]-1,3-thiazole;2-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]-2-pyridinyl]benzonitrile
SMILESCOc1ccc(F)cc1-c1ccc(C#Cc2csc(C)n2)cn1.Cc1nc(C#Cc2ccc(-c3cc(F)cc(C#N)c3)nc2)cs1.Cc1nc(C#Cc2ccc(-c3cccc(F)c3)nc2)cs1.Cc1nc(C#Cc2ccc(-c3ccccc3C#N)nc2)cs1.Cc1nc(C#Cc2ccc(-c3ccccc3C)nc2)cs1.Cc1nc(C#Cc2ccc(-c3ccccc3F)nc2)cs1
InChIInChI=1S/C18H10FN3S.C18H13FN2OS.C18H11N3S.C18H14N2S.2C17H11FN2S/c1-12-22-17(11-23-12)4-2-13-3-5-18(21-10-13)15-6-14(9-20)7-16(19)8-15;1-12-21-15(11-23-12)6-3-13-4-7-17(20-10-13)16-9-14(19)5-8-18(16)22-2;1-13-21-16(12-22-13)8-6-14-7-9-18(20-11-14)17-5-3-2-4-15(17)10-19;1-13-5-3-4-6-17(13)18-10-8-15(11-19-18)7-9-16-12-21-14(2)20-16;1-12-20-16(11-21-12)7-5-13-6-8-17(19-10-13)14-3-2-4-15(18)9-14;1-12-20-14(11-21-12)8-6-13-7-9-17(19-10-13)15-4-2-3-5-16(15)18/h3,5-8,10-11H,1H3;4-5,7-11H,1-2H3;2-5,7,9,11-12H,1H3;3-6,8,10-12H,1-2H3;2-4,6,8-11H,1H3;2-5,7,9-11H,1H3
InChIKeyMICGPEHHTXPOIY-UHFFFAOYSA-N
MW1824.22 g/mol
LogP24.10
Rot. Bonds7

About 4-[2-[6-(5-fluoro-2-methoxyphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;3-fluoro-5-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]-2-pyridinyl]benzonitrile;4-[2-[6-(2-fluorophenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;4-[2-[6-(3-fluorophenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;2-methyl-4-[2-[6-(2-methylphenyl)-3-pyridinyl]ethynyl]-1,3-thiazole;2-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]-2-pyridinyl]benzonitrile

4-[2-[6-(5-fluoro-2-methoxyphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;3-fluoro-5-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]-2-pyridinyl]benzonitrile;4-[2-[6-(2-fluorophenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;4-[2-[6-(3-fluorophenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;2-methyl-4-[2-[6-(2-methylphenyl)-3-pyridinyl]ethynyl]-1,3-thiazole;2-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]-2-pyridinyl]benzonitrile (PubChem CID 159573398) has the molecular formula C106H70F4N14OS6 and a molecular weight of 1824.22 g/mol. Its IUPAC name is 4-[2-[6-(5-fluoro-2-methoxyphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;3-fluoro-5-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]-2-pyridinyl]benzonitrile;4-[2-[6-(2-fluorophenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;4-[2-[6-(3-fluorophenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;2-methyl-4-[2-[6-(2-methylphenyl)-3-pyridinyl]ethynyl]-1,3-thiazole;2-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]-2-pyridinyl]benzonitrile.

Molecular Properties

Compound Name4-[2-[6-(5-fluoro-2-methoxyphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;3-fluoro-5-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]-2-pyridinyl]benzonitrile;4-[2-[6-(2-fluorophenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;4-[2-[6-(3-fluorophenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;2-methyl-4-[2-[6-(2-methylphenyl)-3-pyridinyl]ethynyl]-1,3-thiazole;2-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]-2-pyridinyl]benzonitrile
PubChem CID159573398
Molecular FormulaC106H70F4N14OS6
Molecular Weight1824.22 g/mol
Exact Mass1822.41
IUPAC Name4-[2-[6-(5-fluoro-2-methoxyphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;3-fluoro-5-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]-2-pyridinyl]benzonitrile;4-[2-[6-(2-fluorophenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;4-[2-[6-(3-fluorophenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;2-methyl-4-[2-[6-(2-methylphenyl)-3-pyridinyl]ethynyl]-1,3-thiazole;2-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]-2-pyridinyl]benzonitrile
SMILESCOc1ccc(F)cc1-c1ccc(C#Cc2csc(C)n2)cn1.Cc1nc(C#Cc2ccc(-c3cc(F)cc(C#N)c3)nc2)cs1.Cc1nc(C#Cc2ccc(-c3cccc(F)c3)nc2)cs1.Cc1nc(C#Cc2ccc(-c3ccccc3C#N)nc2)cs1.Cc1nc(C#Cc2ccc(-c3ccccc3C)nc2)cs1.Cc1nc(C#Cc2ccc(-c3ccccc3F)nc2)cs1
InChIInChI=1S/C18H10FN3S.C18H13FN2OS.C18H11N3S.C18H14N2S.2C17H11FN2S/c1-12-22-17(11-23-12)4-2-13-3-5-18(21-10-13)15-6-14(9-20)7-16(19)8-15;1-12-21-15(11-23-12)6-3-13-4-7-17(20-10-13)16-9-14(19)5-8-18(16)22-2;1-13-21-16(12-22-13)8-6-14-7-9-18(20-11-14)17-5-3-2-4-15(17)10-19;1-13-5-3-4-6-17(13)18-10-8-15(11-19-18)7-9-16-12-21-14(2)20-16;1-12-20-16(11-21-12)7-5-13-6-8-17(19-10-13)14-3-2-4-15(18)9-14;1-12-20-14(11-21-12)8-6-13-7-9-17(19-10-13)15-4-2-3-5-16(15)18/h3,5-8,10-11H,1H3;4-5,7-11H,1-2H3;2-5,7,9,11-12H,1H3;3-6,8,10-12H,1-2H3;2-4,6,8-11H,1H3;2-5,7,9-11H,1H3
InChIKeyMICGPEHHTXPOIY-UHFFFAOYSA-N
XLogP24.10
TPSA211.49 Ų
H-Bond Donors
H-Bond Acceptors21
Rotatable Bonds7
Heavy Atoms131
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001824.22
LogP ≤ 524.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 4-[2-[6-(5-fluoro-2-methoxyphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;3-fluoro-5-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]-2-pyridinyl]benzonitrile;4-[2-[6-(2-fluorophenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;4-[2-[6-(3-fluorophenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;2-methyl-4-[2-[6-(2-methylphenyl)-3-pyridinyl]ethynyl]-1,3-thiazole;2-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]-2-pyridinyl]benzonitrile with MolForge

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Related Compounds

4-[2-(6-Cyclopentyl-3-pyridinyl)ethynyl]-2-methyl-1,3-thiazole;4-[2-(5-cyclopropylpyridin-1-ium-3-yl)ethynyl]-2-methyl-2,3-dihydro-1,3-thiazol-3-ium;4-[2-(5-ethenyl-3-pyridinyl)ethynyl]-2-methyl-1,3-thiazole;2-methyl-4-[2-(5-methyl-3-pyridinyl)ethynyl]-1,3-thiazole;2-methyl-4-[2-(6-phenoxy-3-pyridinyl)ethynyl]-1,3-thiazole;2-methyl-4-[2-[6-[3-(trifluoromethyl)phenyl]-3-pyridinyl]ethynyl]-1,3-thiazole;trichloride
CID 157170000
1-Cyclohexyl-3-propan-2-ylbenzene;1-cyclopentyl-3-propan-2-ylbenzene;1-fluoro-3-methyl-5-propan-2-ylbenzene;1-fluoro-2-propan-2-yl-4-(trifluoromethyl)benzene;1-fluoro-4-propan-2-yl-2-(trifluoromethyl)benzene;2-fluoro-1-propan-2-yl-3-(trifluoromethyl)benzene;1-phenoxy-3-propan-2-ylbenzene;1-phenyl-3-propan-2-ylbenzene;4-(3-propan-2-ylphenyl)morpholine;1-(3-propan-2-ylphenyl)piperidine;1-(3-propan-2-ylphenyl)pyrrolidine;1-propan-2-yl-3-(trifluoromethyl)benzene;2-propan-2-yl-4-(trifluoromethyl)pyridine;2-propan-2-yl-6-(trifluoromethyl)pyridine;3-propan-2-yl-5-(trifluoromethyl)pyridine;4-propan-2-yl-2-(trifluoromethyl)pyridine;2-propan-2-yl-4-(trifluoromethyl)-1,3-thiazole;2-propan-2-yl-5-(trifluoromethyl)-1,3-thiazole;5-propan-2-yl-2-(trifluoromethyl)-1,3-thiazole
CID 157205773
1-Cyclohexyl-3-propan-2-ylbenzene;1-cyclopentyl-3-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;1-fluoro-3-methyl-5-propan-2-ylbenzene;1-fluoro-4-methyl-2-propan-2-ylbenzene;2-fluoro-1-methyl-3-propan-2-ylbenzene;methane;bis(1-methyl-3-propan-2-ylbenzene);2-methyl-6-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1,3-thiazole;4-methyl-2-propan-2-yl-1,3-thiazole;1-phenoxy-3-propan-2-ylbenzene;bis(1-(3-propan-2-ylphenyl)piperidine);1-(3-propan-2-ylphenyl)pyrrolidine;4-propan-2-yl-2-(trifluoromethyl)pyridine;2-propan-2-yl-5-(trifluoromethyl)-1,3-thiazole
CID 157310289
1-Cyclohexyl-3-propan-2-ylbenzene;1-cyclopentyl-3-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;1-fluoro-3-methyl-5-propan-2-ylbenzene;1-fluoro-4-methyl-2-propan-2-ylbenzene;2-fluoro-1-methyl-3-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;4-methyl-2-propan-2-yl-1,3-thiazole;bis(5-methyl-2-propan-2-yl-1,3-thiazole);1-phenoxy-3-propan-2-ylbenzene;bis(1-(3-propan-2-ylphenyl)piperidine);1-(3-propan-2-ylphenyl)pyrrolidine;1-propan-2-yl-3-(trifluoromethyl)benzene
CID 157317069
1-Cyclohexyl-3-propan-2-ylbenzene;1-cyclopentyl-3-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;1-fluoro-3-methyl-5-propan-2-ylbenzene;1-fluoro-4-methyl-2-propan-2-ylbenzene;2-fluoro-1-methyl-3-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;2-methyl-6-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1,3-thiazole;4-methyl-2-propan-2-yl-1,3-thiazole;1-phenoxy-3-propan-2-ylbenzene;bis(1-(3-propan-2-ylphenyl)piperidine);1-(3-propan-2-ylphenyl)pyrrolidine;1-propan-2-yl-3-(trifluoromethyl)benzene;4-propan-2-yl-2-(trifluoromethyl)pyridine;2-propan-2-yl-5-(trifluoromethyl)-1,3-thiazole
CID 157513480
1-Cyclohexyl-3-propan-2-ylbenzene;1-cyclopentyl-3-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;1-fluoro-4-methyl-2-propan-2-ylbenzene;1-fluoro-3-propan-2-yl-5-(trifluoromethyl)benzene;2-fluoro-1-propan-2-yl-3-(trifluoromethyl)benzene;methane;1-methyl-3-propan-2-ylbenzene;2-methyl-6-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1,3-thiazole;4-methyl-2-propan-2-yl-1,3-thiazole;1-phenoxy-3-propan-2-ylbenzene;1-phenyl-3-propan-2-ylbenzene;bis(1-(3-propan-2-ylphenyl)piperidine);1-(3-propan-2-ylphenyl)pyrrolidine;2-propan-2-yl-4-(trifluoromethyl)pyridine;4-propan-2-yl-2-(trifluoromethyl)pyridine;2-propan-2-yl-5-(trifluoromethyl)-1,3-thiazole
CID 158648625
1-Cyclohexyl-3-propan-2-ylbenzene;1-cyclopentyl-3-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;1-fluoro-3-methyl-5-propan-2-ylbenzene;1-fluoro-4-methyl-2-propan-2-ylbenzene;2-fluoro-1-methyl-3-propan-2-ylbenzene;methane;1-methyl-3-propan-2-ylbenzene;2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1,3-thiazole;4-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;1-phenoxy-3-propan-2-ylbenzene;4-(3-propan-2-ylphenyl)morpholine;1-(3-propan-2-ylphenyl)piperidine;1-(3-propan-2-ylphenyl)pyrrolidine;1-propan-2-yl-3-(trifluoromethyl)benzene
CID 158883116
4-[2-[6-(2-Chlorophenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;4-[2-[6-(3,5-difluoro-2-methoxyphenyl)pyridin-1-ium-3-yl]ethynyl]-2-methyl-1,3-thiazole;4-[2-[6-(4-fluoro-2-methoxyphenyl)pyridin-1-ium-3-yl]ethynyl]-2-methyl-1,3-thiazole;4-[2-[6-(4-fluoro-2-methylphenyl)pyridin-1-ium-3-yl]ethynyl]-2-methyl-1,3-thiazole;4-[2-[6-(2-methoxyphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;tris(2,2,2-trifluoroacetate)
CID 159010542
1-Cyclohexyl-3-propan-2-ylbenzene;1-cyclopentyl-3-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;1-fluoro-3-methyl-5-propan-2-ylbenzene;1-fluoro-4-methyl-2-propan-2-ylbenzene;2-fluoro-1-methyl-3-propan-2-ylbenzene;methane;1-methyl-3-propan-2-ylbenzene;2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1,3-thiazole;4-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;1-phenoxy-3-propan-2-ylbenzene;bis(1-(3-propan-2-ylphenyl)piperidine);1-(3-propan-2-ylphenyl)pyrrolidine;1-propan-2-yl-3-(trifluoromethyl)benzene
CID 159972888
4-[2-[6-(2-Chlorophenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;4-[2-[6-(3,5-difluoro-2-methoxyphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;4-[2-[6-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;4-[2-[6-(5-fluoro-2-methoxyphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;4-[2-[6-(4-fluoro-2-methylphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;4-[2-[6-(2-methoxyphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;tris(2,2,2-trifluoroacetate)
CID 160192978
1-Cyclohexyl-3-propan-2-ylbenzene;1-cyclopentyl-3-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;1-fluoro-3-methyl-5-propan-2-ylbenzene;1-fluoro-4-methyl-2-propan-2-ylbenzene;2-fluoro-1-methyl-3-propan-2-ylbenzene;methane;1-methyl-3-propan-2-ylbenzene;2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1,3-thiazole;4-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;1-phenoxy-3-propan-2-ylbenzene;bis(1-(3-propan-2-ylphenyl)piperidine);1-(3-propan-2-ylphenyl)pyrrolidine;1-propan-2-yl-3-(trifluoromethyl)benzene
CID 160244978
1-Cyclohexyl-3-propan-2-ylbenzene;1-cyclopentyl-3-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;1-fluoro-3-methyl-5-propan-2-ylbenzene;1-fluoro-4-methyl-2-propan-2-ylbenzene;2-fluoro-1-methyl-3-propan-2-ylbenzene;methane;bis(1-methyl-3-propan-2-ylbenzene);2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1,3-thiazole;4-methyl-2-propan-2-yl-1,3-thiazole;1-phenoxy-3-propan-2-ylbenzene;bis(1-(3-propan-2-ylphenyl)piperidine);1-(3-propan-2-ylphenyl)pyrrolidine;2-propan-2-yl-5-(trifluoromethyl)-1,3-thiazole
CID 161366363

Frequently Asked Questions

What is the IUPAC name of 4-[2-[6-(5-fluoro-2-methoxyphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;3-fluoro-5-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]-2-pyridinyl]benzonitrile;4-[2-[6-(2-fluorophenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;4-[2-[6-(3-fluorophenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;2-methyl-4-[2-[6-(2-methylphenyl)-3-pyridinyl]ethynyl]-1,3-thiazole;2-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]-2-pyridinyl]benzonitrile?
The IUPAC name of 4-[2-[6-(5-fluoro-2-methoxyphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;3-fluoro-5-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]-2-pyridinyl]benzonitrile;4-[2-[6-(2-fluorophenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;4-[2-[6-(3-fluorophenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;2-methyl-4-[2-[6-(2-methylphenyl)-3-pyridinyl]ethynyl]-1,3-thiazole;2-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]-2-pyridinyl]benzonitrile (CID 159573398) is 4-[2-[6-(5-fluoro-2-methoxyphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;3-fluoro-5-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]-2-pyridinyl]benzonitrile;4-[2-[6-(2-fluorophenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;4-[2-[6-(3-fluorophenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;2-methyl-4-[2-[6-(2-methylphenyl)-3-pyridinyl]ethynyl]-1,3-thiazole;2-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]-2-pyridinyl]benzonitrile.
What is the SMILES notation for 4-[2-[6-(5-fluoro-2-methoxyphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;3-fluoro-5-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]-2-pyridinyl]benzonitrile;4-[2-[6-(2-fluorophenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;4-[2-[6-(3-fluorophenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;2-methyl-4-[2-[6-(2-methylphenyl)-3-pyridinyl]ethynyl]-1,3-thiazole;2-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]-2-pyridinyl]benzonitrile?
The canonical SMILES for 4-[2-[6-(5-fluoro-2-methoxyphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;3-fluoro-5-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]-2-pyridinyl]benzonitrile;4-[2-[6-(2-fluorophenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;4-[2-[6-(3-fluorophenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;2-methyl-4-[2-[6-(2-methylphenyl)-3-pyridinyl]ethynyl]-1,3-thiazole;2-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]-2-pyridinyl]benzonitrile is COc1ccc(F)cc1-c1ccc(C#Cc2csc(C)n2)cn1.Cc1nc(C#Cc2ccc(-c3cc(F)cc(C#N)c3)nc2)cs1.Cc1nc(C#Cc2ccc(-c3cccc(F)c3)nc2)cs1.Cc1nc(C#Cc2ccc(-c3ccccc3C#N)nc2)cs1.Cc1nc(C#Cc2ccc(-c3ccccc3C)nc2)cs1.Cc1nc(C#Cc2ccc(-c3ccccc3F)nc2)cs1.
What is the InChIKey of 4-[2-[6-(5-fluoro-2-methoxyphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;3-fluoro-5-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]-2-pyridinyl]benzonitrile;4-[2-[6-(2-fluorophenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;4-[2-[6-(3-fluorophenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;2-methyl-4-[2-[6-(2-methylphenyl)-3-pyridinyl]ethynyl]-1,3-thiazole;2-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]-2-pyridinyl]benzonitrile?
The InChIKey is MICGPEHHTXPOIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10FN3S.C18H13FN2OS.C18H11N3S.C18H14N2S.2C17H11FN2S/c1-12-22-17(11-23-12)4-2-13-3-5-18(21-10-13)15-6-14(9-20)7-16(19)8-15;1-12-21-15(11-23-12)6-3-13-4-7-17(20-10-13)16-9-14(19)5-8-18(16)22-2;1-13-21-16(12-22-13)8-6-14-7-9-18(20-11-14)17-5-3-2-4-15(17)10-19;1-13-5-3-4-6-17(13)18-10-8-15(11-19-18)7-9-16-12-21-14(2)20-16;1-12-20-16(11-21-12)7-5-13-6-8-17(19-10-13)14-3-2-4-15(18)9-14;1-12-20-14(11-21-12)8-6-13-7-9-17(19-10-13)15-4-2-3-5-16(15)18/h3,5-8,10-11H,1H3;4-5,7-11H,1-2H3;2-5,7,9,11-12H,1H3;3-6,8,10-12H,1-2H3;2-4,6,8-11H,1H3;2-5,7,9-11H,1H3.
What are the key properties of 4-[2-[6-(5-fluoro-2-methoxyphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;3-fluoro-5-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]-2-pyridinyl]benzonitrile;4-[2-[6-(2-fluorophenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;4-[2-[6-(3-fluorophenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;2-methyl-4-[2-[6-(2-methylphenyl)-3-pyridinyl]ethynyl]-1,3-thiazole;2-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]-2-pyridinyl]benzonitrile?
4-[2-[6-(5-fluoro-2-methoxyphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;3-fluoro-5-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]-2-pyridinyl]benzonitrile;4-[2-[6-(2-fluorophenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;4-[2-[6-(3-fluorophenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;2-methyl-4-[2-[6-(2-methylphenyl)-3-pyridinyl]ethynyl]-1,3-thiazole;2-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]-2-pyridinyl]benzonitrile has a molecular weight of 1824.22 g/mol, XLogP of 24.10, 7 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[6-(5-fluoro-2-methoxyphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;3-fluoro-5-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]-2-pyridinyl]benzonitrile;4-[2-[6-(2-fluorophenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;4-[2-[6-(3-fluorophenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;2-methyl-4-[2-[6-(2-methylphenyl)-3-pyridinyl]ethynyl]-1,3-thiazole;2-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]-2-pyridinyl]benzonitrile is sourced from PubChem (CID 159573398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).