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

C89H61F4N11O2S5 — CID 157050906

About 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

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 (PubChem CID 157050906) has the molecular formula C89H61F4N11O2S5 and a molecular weight of 1552.87 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 157050906
• Molecular Formula: C89H61F4N11O2S5
• Molecular Weight: 1552.87 g/mol
• Exact Mass: 1551.35
• IUPAC Name: 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
• SMILES: COc1ccc(C)cc1-c1ccc(C#Cc2csc(C)n2)cn1.Cc1nc(C#Cc2ccc(-c3cc(C#N)ccc3F)nc2)cs1.Cc1nc(C#Cc2ccc(-c3ccc(F)c(F)c3)nc2)cs1.Cc1nc(C#Cc2ccc(-c3ccc(F)cc3)nc2)cs1.Cc1nc(C#Cc2ccc(-c3ccccc3CO)nc2)cs1
• InChI: InChI=1S/C19H16N2OS.C18H10FN3S.C18H14N2OS.C17H10F2N2S.C17H11FN2S/c1-13-4-9-19(22-3)17(10-13)18-8-6-15(11-20-18)5-7-16-12-23-14(2)21-16;1-12-22-15(11-23-12)5-2-13-4-7-18(21-10-13)16-8-14(9-20)3-6-17(16)19;1-13-20-16(12-22-13)8-6-14-7-9-18(19-10-14)17-5-3-2-4-15(17)11-21;1-11-21-14(10-22-11)5-2-12-3-7-17(20-9-12)13-4-6-15(18)16(19)8-13;1-12-20-16(11-21-12)8-2-13-3-9-17(19-10-13)14-4-6-15(18)7-5-14/h4,6,8-12H,1-3H3;3-4,6-8,10-11H,1H3;2-5,7,9-10,12,21H,11H2,1H3;3-4,6-10H,1H3;3-7,9-11H,1H3
• InChIKey: AAERIMNJPSDFKU-UHFFFAOYSA-N
• XLogP: 19.80
• TPSA: 182.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 18
• Rotatable Bonds: 7
• Heavy Atoms: 111
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1552.87
LogP ≤ 5	19.80
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is COc1ccc(C)cc1-c1ccc(C#Cc2csc(C)n2)cn1.Cc1nc(C#Cc2ccc(-c3cc(C#N)ccc3F)nc2)cs1.Cc1nc(C#Cc2ccc(-c3ccc(F)c(F)c3)nc2)cs1.Cc1nc(C#Cc2ccc(-c3ccc(F)cc3)nc2)cs1.Cc1nc(C#Cc2ccc(-c3ccccc3CO)nc2)cs1.

What is the InChIKey of 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?

The InChIKey is AAERIMNJPSDFKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2OS.C18H10FN3S.C18H14N2OS.C17H10F2N2S.C17H11FN2S/c1-13-4-9-19(22-3)17(10-13)18-8-6-15(11-20-18)5-7-16-12-23-14(2)21-16;1-12-22-15(11-23-12)5-2-13-4-7-18(21-10-13)16-8-14(9-20)3-6-17(16)19;1-13-20-16(12-22-13)8-6-14-7-9-18(19-10-14)17-5-3-2-4-15(17)11-21;1-11-21-14(10-22-11)5-2-12-3-7-17(20-9-12)13-4-6-15(18)16(19)8-13;1-12-20-16(11-21-12)8-2-13-3-9-17(19-10-13)14-4-6-15(18)7-5-14/h4,6,8-12H,1-3H3;3-4,6-8,10-11H,1H3;2-5,7,9-10,12,21H,11H2,1H3;3-4,6-10H,1H3;3-7,9-11H,1H3.

What are the key properties of 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?

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 has a molecular weight of 1552.87 g/mol, XLogP of 19.80, 7 rotatable bonds, 1 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 157050906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).