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

C107H78F5N13O3S6 — CID 158595421

IUPAC4-[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-(4-fluoro-2-methylphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;4-[2-[6-(5-fluoro-2-methylphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;4-[2-[6-(2-methoxyphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;2-methyl-4-[2-[2-(2-methylphenyl)pyrimidin-5-yl]ethynyl]-1,3-thiazole
SMILESCOc1c(F)cc(F)cc1-c1ccc(C#Cc2csc(C)n2)cn1.COc1cc(F)ccc1-c1ccc(C#Cc2csc(C)n2)cn1.COc1ccccc1-c1ccc(C#Cc2csc(C)n2)cn1.Cc1nc(C#Cc2ccc(-c3cc(F)ccc3C)nc2)cs1.Cc1nc(C#Cc2ccc(-c3ccc(F)cc3C)nc2)cs1.Cc1nc(C#Cc2cnc(-c3ccccc3C)nc2)cs1
InChIInChI=1S/C18H12F2N2OS.C18H13FN2OS.2C18H13FN2S.C18H14N2OS.C17H13N3S/c1-11-22-14(10-24-11)5-3-12-4-6-17(21-9-12)15-7-13(19)8-16(20)18(15)23-2;1-12-21-15(11-23-12)6-3-13-4-8-17(20-10-13)16-7-5-14(19)9-18(16)22-2;1-12-9-15(19)5-7-17(12)18-8-4-14(10-20-18)3-6-16-11-22-13(2)21-16;1-12-3-6-15(19)9-17(12)18-8-5-14(10-20-18)4-7-16-11-22-13(2)21-16;1-13-20-15(12-22-13)9-7-14-8-10-17(19-11-14)16-5-3-4-6-18(16)21-2;1-12-5-3-4-6-16(12)17-18-9-14(10-19-17)7-8-15-11-21-13(2)20-15/h4,6-10H,1-2H3;4-5,7-11H,1-2H3;4-5,7-11H,1-2H3;3,5-6,8-11H,1-2H3;3-6,8,10-12H,1-2H3;3-6,9-11H,1-2H3
InChIKeyHUYTXRBWLQUMKE-UHFFFAOYSA-N
MW1881.28 g/mol
LogP24.52
Rot. Bonds9

About 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-(4-fluoro-2-methylphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;4-[2-[6-(5-fluoro-2-methylphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;4-[2-[6-(2-methoxyphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;2-methyl-4-[2-[2-(2-methylphenyl)pyrimidin-5-yl]ethynyl]-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-(4-fluoro-2-methylphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;4-[2-[6-(5-fluoro-2-methylphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;4-[2-[6-(2-methoxyphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;2-methyl-4-[2-[2-(2-methylphenyl)pyrimidin-5-yl]ethynyl]-1,3-thiazole (PubChem CID 158595421) has the molecular formula C107H78F5N13O3S6 and a molecular weight of 1881.28 g/mol. Its IUPAC name is 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-(4-fluoro-2-methylphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;4-[2-[6-(5-fluoro-2-methylphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;4-[2-[6-(2-methoxyphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;2-methyl-4-[2-[2-(2-methylphenyl)pyrimidin-5-yl]ethynyl]-1,3-thiazole.

Molecular Properties

Compound Name4-[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-(4-fluoro-2-methylphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;4-[2-[6-(5-fluoro-2-methylphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;4-[2-[6-(2-methoxyphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;2-methyl-4-[2-[2-(2-methylphenyl)pyrimidin-5-yl]ethynyl]-1,3-thiazole
PubChem CID158595421
Molecular FormulaC107H78F5N13O3S6
Molecular Weight1881.28 g/mol
Exact Mass1879.46
IUPAC Name4-[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-(4-fluoro-2-methylphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;4-[2-[6-(5-fluoro-2-methylphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;4-[2-[6-(2-methoxyphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;2-methyl-4-[2-[2-(2-methylphenyl)pyrimidin-5-yl]ethynyl]-1,3-thiazole
SMILESCOc1c(F)cc(F)cc1-c1ccc(C#Cc2csc(C)n2)cn1.COc1cc(F)ccc1-c1ccc(C#Cc2csc(C)n2)cn1.COc1ccccc1-c1ccc(C#Cc2csc(C)n2)cn1.Cc1nc(C#Cc2ccc(-c3cc(F)ccc3C)nc2)cs1.Cc1nc(C#Cc2ccc(-c3ccc(F)cc3C)nc2)cs1.Cc1nc(C#Cc2cnc(-c3ccccc3C)nc2)cs1
InChIInChI=1S/C18H12F2N2OS.C18H13FN2OS.2C18H13FN2S.C18H14N2OS.C17H13N3S/c1-11-22-14(10-24-11)5-3-12-4-6-17(21-9-12)15-7-13(19)8-16(20)18(15)23-2;1-12-21-15(11-23-12)6-3-13-4-8-17(20-10-13)16-7-5-14(19)9-18(16)22-2;1-12-9-15(19)5-7-17(12)18-8-4-14(10-20-18)3-6-16-11-22-13(2)21-16;1-12-3-6-15(19)9-17(12)18-8-5-14(10-20-18)4-7-16-11-22-13(2)21-16;1-13-20-15(12-22-13)9-7-14-8-10-17(19-11-14)16-5-3-4-6-18(16)21-2;1-12-5-3-4-6-16(12)17-18-9-14(10-19-17)7-8-15-11-21-13(2)20-15/h4,6-10H,1-2H3;4-5,7-11H,1-2H3;4-5,7-11H,1-2H3;3,5-6,8-11H,1-2H3;3-6,8,10-12H,1-2H3;3-6,9-11H,1-2H3
InChIKeyHUYTXRBWLQUMKE-UHFFFAOYSA-N
XLogP24.52
TPSA195.26 Ų
H-Bond Donors
H-Bond Acceptors22
Rotatable Bonds9
Heavy Atoms134
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001881.28
LogP ≤ 524.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

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

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

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Related Compounds

2-(2,3-Dihydro-1-benzofuran-5-yl)-4-methyl-1,3-thiazole;4,5-dimethyl-1-phenylpyrazole;3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]-1,2,4-triazole;2-(4-fluorophenoxy)-3-methylpyridine;1-(4-fluorophenyl)-4,5-dimethylpyrazole;1-(4-fluorophenyl)-4-methyl-5-(trifluoromethyl)pyrazole;3-methyl-2-phenoxypyridine;5-methyl-2-phenoxypyridine;3-methyl-5-phenylpyridine;4-methyl-1-phenyl-5-(trifluoromethyl)pyrazole;4-methyl-2-piperidin-1-ylpyridine;5-methyl-2-piperidin-1-ylpyridine
CID 157837412
7-(2,4-Difluorophenyl)-8-(2,6-dimethyl-4-pyridinyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-(2,4-difluorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-(2,6-dimethyl-4-pyridinyl)-2-methyl-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-(4-fluoro-2-methoxyphenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;2-methyl-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-(1-methylpyrazol-3-yl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-7-(1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
CID 158035203
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
2-[[(4S)-6-fluoro-4-[(2S,4R)-2-pyridin-3-yl-4-(trifluoromethyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-7-yl]sulfonylmethyl]-1,3-thiazole;2-[[(4R)-6-fluoro-4-[(2S,4R)-2-pyridin-3-yl-4-(trifluoromethyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-7-yl]sulfonylmethyl]-1,3-thiazole;2-[[(4R)-6-fluoro-4-[(2S,4R)-2-pyridin-4-yl-4-(trifluoromethyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-7-yl]sulfonylmethyl]-1,3-thiazole;5-[[(4S)-4-[(2S,4R)-2-pyridin-2-yl-4-(trifluoromethyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-7-yl]sulfonylmethyl]-1,2,4-thiadiazole;5-[[(4R)-4-[(2S,4R)-2-pyridin-2-yl-4-(trifluoromethyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-7-yl]sulfonylmethyl]-1,2,4-thiadiazole
CID 161537480
4-[2-[6-(3,4-Difluorophenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;4-fluoro-3-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]-2-pyridinyl]benzonitrile;4-[2-[6-(4-fluorophenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;4-[2-[6-(2-methoxy-5-methylphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;[2-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]-2-pyridinyl]phenyl]methanol
CID 157050906
4-[2-[6-(3,4-difluorophenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;4-[2-[6-(4-fluoro-3-methylphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;4-fluoro-3-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]pyridin-1-ium-2-yl]benzonitrile;4-[2-[6-(2-methoxy-5-methylphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;2-methyl-4-[2-[6-(4-methylphenyl)pyridin-1-ium-3-yl]ethynyl]-1,3-thiazol-3-ium;N-methyl-5-[2-(2-methyl-1,3-thiazol-3-ium-4-yl)ethynyl]-N-pyridin-2-ylpyridin-2-amine;tetrachloride
CID 157246107
4-(3,4-Difluorophenyl)-2-piperidin-1-yl-1,3-thiazole;4-(2,5-dimethylphenyl)-2-piperidin-1-yl-1,3-thiazole;4-(4-fluorophenyl)-2-piperidin-1-yl-1,3-thiazole;4-(2-methoxyphenyl)-2-piperidin-1-yl-1,3-thiazole;4-(3-methylphenyl)-2-piperidin-1-yl-1,3-thiazole;bis(4-phenyl-2-piperidin-1-yl-1,3-thiazole);2-(2-piperidin-1-yl-1,3-thiazol-4-yl)aniline
CID 157279621
4-(3,4-Difluorophenyl)-2-piperidin-1-yl-1,3-thiazole;4-(2,5-dimethylphenyl)-2-piperidin-1-yl-1,3-thiazole;4-(4-fluorophenyl)-2-phenyl-1,3-thiazole;4-(4-fluorophenyl)-2-piperidin-1-yl-1,3-thiazole;4-(2-methoxyphenyl)-2-piperidin-1-yl-1,3-thiazole;4-(3-methylphenyl)-2-piperidin-1-yl-1,3-thiazole;bis(4-phenyl-2-piperidin-1-yl-1,3-thiazole)
CID 157417706
4-(3,4-Difluorophenyl)-2-piperidin-1-yl-1,3-thiazole;4-(2,5-dimethylphenyl)-2-piperidin-1-yl-1,3-thiazole;2,4-diphenyl-1,3-thiazole;4-(4-fluorophenyl)-2-phenyl-1,3-thiazole;4-(4-fluorophenyl)-2-piperidin-1-yl-1,3-thiazole;4-(2-methoxyphenyl)-2-piperidin-1-yl-1,3-thiazole;4-(3-methylphenyl)-2-piperidin-1-yl-1,3-thiazole;bis(4-phenyl-2-piperidin-1-yl-1,3-thiazole)
CID 157577973
2-(2,6-Difluorophenyl)-1-[13-(2-fluoro-3-pyridinyl)-3-thia-5-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaen-4-yl]ethanone;2-(2,6-difluorophenyl)-1-[13-(2-methoxy-3-pyridinyl)-3-thia-5-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaen-4-yl]ethanone;2-(2,6-difluorophenyl)-1-[13-(6-methoxy-3-pyridinyl)-3-thia-5-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaen-4-yl]ethanone;2-(2,6-difluorophenyl)-1-(13-pyridin-4-yl-3-thia-5-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaen-4-yl)ethanone;2-(2,6-difluorophenyl)-1-(13-pyrimidin-5-yl-3-thia-5-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaen-4-yl)ethanone
CID 158180639
4-[2-(6-Tert-butyl-3-pyridinyl)ethynyl]-2-methyl-1,3-thiazole;4-[2-(6-tert-butylsulfanyl-3-pyridinyl)ethynyl]-2-methyl-1,3-thiazole;4-[2-(2-tert-butylsulfanylpyrimidin-5-yl)ethynyl]-2-methyl-1,3-thiazole;4-[2-(6-cyclohexyl-3-pyridinyl)ethynyl]-2-methyl-1,3-thiazole;4-[2-(2-cyclohexylpyrimidin-5-yl)ethynyl]-2-methyl-1,3-thiazole;2-methyl-4-[2-[6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]ethynyl]-1,3-thiazole;2-methyl-4-[2-(6-propan-2-yloxy-3-pyridinyl)ethynyl]-1,3-thiazole
CID 158206482
4-(3,4-Difluoro-2-methoxyphenyl)-2-piperidin-1-yl-1,3-thiazole;2,3-difluoro-6-(2-piperidin-1-yl-1,3-thiazol-4-yl)phenol;4-(3-fluoro-2-methoxyphenyl)-2-piperidin-1-yl-1,3-thiazole;4-(4-fluoro-2-methoxyphenyl)-2-piperidin-1-yl-1,3-thiazole;2-fluoro-6-(2-piperidin-1-yl-1,3-thiazol-4-yl)phenol;5-fluoro-2-(2-piperidin-1-yl-1,3-thiazol-4-yl)phenol;5-methyl-4-phenyl-2-piperidin-1-yl-1,3-thiazole;4-phenyl-2-piperidin-1-yl-1,3-thiazole
CID 158437400

Frequently Asked Questions

What is the IUPAC name of 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-(4-fluoro-2-methylphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;4-[2-[6-(5-fluoro-2-methylphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;4-[2-[6-(2-methoxyphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;2-methyl-4-[2-[2-(2-methylphenyl)pyrimidin-5-yl]ethynyl]-1,3-thiazole?
The IUPAC name of 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-(4-fluoro-2-methylphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;4-[2-[6-(5-fluoro-2-methylphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;4-[2-[6-(2-methoxyphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;2-methyl-4-[2-[2-(2-methylphenyl)pyrimidin-5-yl]ethynyl]-1,3-thiazole (CID 158595421) is 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-(4-fluoro-2-methylphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;4-[2-[6-(5-fluoro-2-methylphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;4-[2-[6-(2-methoxyphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;2-methyl-4-[2-[2-(2-methylphenyl)pyrimidin-5-yl]ethynyl]-1,3-thiazole.
What is the SMILES notation for 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-(4-fluoro-2-methylphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;4-[2-[6-(5-fluoro-2-methylphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;4-[2-[6-(2-methoxyphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;2-methyl-4-[2-[2-(2-methylphenyl)pyrimidin-5-yl]ethynyl]-1,3-thiazole?
The canonical SMILES for 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-(4-fluoro-2-methylphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;4-[2-[6-(5-fluoro-2-methylphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;4-[2-[6-(2-methoxyphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;2-methyl-4-[2-[2-(2-methylphenyl)pyrimidin-5-yl]ethynyl]-1,3-thiazole is COc1c(F)cc(F)cc1-c1ccc(C#Cc2csc(C)n2)cn1.COc1cc(F)ccc1-c1ccc(C#Cc2csc(C)n2)cn1.COc1ccccc1-c1ccc(C#Cc2csc(C)n2)cn1.Cc1nc(C#Cc2ccc(-c3cc(F)ccc3C)nc2)cs1.Cc1nc(C#Cc2ccc(-c3ccc(F)cc3C)nc2)cs1.Cc1nc(C#Cc2cnc(-c3ccccc3C)nc2)cs1.
What is the InChIKey of 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-(4-fluoro-2-methylphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;4-[2-[6-(5-fluoro-2-methylphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;4-[2-[6-(2-methoxyphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;2-methyl-4-[2-[2-(2-methylphenyl)pyrimidin-5-yl]ethynyl]-1,3-thiazole?
The InChIKey is HUYTXRBWLQUMKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F2N2OS.C18H13FN2OS.2C18H13FN2S.C18H14N2OS.C17H13N3S/c1-11-22-14(10-24-11)5-3-12-4-6-17(21-9-12)15-7-13(19)8-16(20)18(15)23-2;1-12-21-15(11-23-12)6-3-13-4-8-17(20-10-13)16-7-5-14(19)9-18(16)22-2;1-12-9-15(19)5-7-17(12)18-8-4-14(10-20-18)3-6-16-11-22-13(2)21-16;1-12-3-6-15(19)9-17(12)18-8-5-14(10-20-18)4-7-16-11-22-13(2)21-16;1-13-20-15(12-22-13)9-7-14-8-10-17(19-11-14)16-5-3-4-6-18(16)21-2;1-12-5-3-4-6-16(12)17-18-9-14(10-19-17)7-8-15-11-21-13(2)20-15/h4,6-10H,1-2H3;4-5,7-11H,1-2H3;4-5,7-11H,1-2H3;3,5-6,8-11H,1-2H3;3-6,8,10-12H,1-2H3;3-6,9-11H,1-2H3.
What are the key properties of 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-(4-fluoro-2-methylphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;4-[2-[6-(5-fluoro-2-methylphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;4-[2-[6-(2-methoxyphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;2-methyl-4-[2-[2-(2-methylphenyl)pyrimidin-5-yl]ethynyl]-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-(4-fluoro-2-methylphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;4-[2-[6-(5-fluoro-2-methylphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;4-[2-[6-(2-methoxyphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;2-methyl-4-[2-[2-(2-methylphenyl)pyrimidin-5-yl]ethynyl]-1,3-thiazole has a molecular weight of 1881.28 g/mol, XLogP of 24.52, 9 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 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-(4-fluoro-2-methylphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;4-[2-[6-(5-fluoro-2-methylphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;4-[2-[6-(2-methoxyphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;2-methyl-4-[2-[2-(2-methylphenyl)pyrimidin-5-yl]ethynyl]-1,3-thiazole is sourced from PubChem (CID 158595421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).