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

C107H81Cl4F4N15OS6 — CID 157246107

About 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

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 (PubChem CID 157246107) has the molecular formula C107H81Cl4F4N15OS6 and a molecular weight of 2003.13 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 157246107
• Molecular Formula: C107H81Cl4F4N15OS6
• Molecular Weight: 2003.13 g/mol
• Exact Mass: 1999.38
• IUPAC Name: 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
• SMILES: COc1ccc(C)cc1-c1ccc(C#Cc2csc(C)n2)cn1.Cc1[nH+]c(C#Cc2ccc(N(C)c3ccccn3)nc2)cs1.Cc1ccc(-c2ccc(C#Cc3csc(C)[nH+]3)c[nH+]2)cc1.Cc1nc(C#Cc2ccc(-c3cc(C#N)ccc3F)[nH+]c2)cs1.Cc1nc(C#Cc2ccc(-c3ccc(F)c(C)c3)nc2)cs1.Cc1nc(C#Cc2ccc(-c3ccc(F)c(F)c3)nc2)cs1.[Cl-].[Cl-].[Cl-].[Cl-]
• InChI: InChI=1S/C19H16N2OS.C18H10FN3S.C18H13FN2S.C18H14N2S.C17H10F2N2S.C17H14N4S.4ClH/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;1-12-9-15(5-7-17(12)19)18-8-4-14(10-20-18)3-6-16-11-22-13(2)21-16;1-13-3-7-16(8-4-13)18-10-6-15(11-19-18)5-9-17-12-21-14(2)20-17;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;1-13-20-15(12-22-13)8-6-14-7-9-17(19-11-14)21(2)16-5-3-4-10-18-16;;;;/h4,6,8-12H,1-3H3;3-4,6-8,10-11H,1H3;4-5,7-11H,1-2H3;3-4,6-8,10-12H,1-2H3;3-4,6-10H,1H3;3-5,7,9-12H,1-2H3;4*1H
• InChIKey: BSBWKZVDAZFFIX-UHFFFAOYSA-N
• XLogP: 10.03
• TPSA: 208.83 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 8
• Heavy Atoms: 137
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2003.13
LogP ≤ 5	10.03
H-Bond Donors ≤ 5	0
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-[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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is COc1ccc(C)cc1-c1ccc(C#Cc2csc(C)n2)cn1.Cc1[nH+]c(C#Cc2ccc(N(C)c3ccccn3)nc2)cs1.Cc1ccc(-c2ccc(C#Cc3csc(C)[nH+]3)c[nH+]2)cc1.Cc1nc(C#Cc2ccc(-c3cc(C#N)ccc3F)[nH+]c2)cs1.Cc1nc(C#Cc2ccc(-c3ccc(F)c(C)c3)nc2)cs1.Cc1nc(C#Cc2ccc(-c3ccc(F)c(F)c3)nc2)cs1.[Cl-].[Cl-].[Cl-].[Cl-].

What is the InChIKey of 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?

The InChIKey is BSBWKZVDAZFFIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2OS.C18H10FN3S.C18H13FN2S.C18H14N2S.C17H10F2N2S.C17H14N4S.4ClH/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;1-12-9-15(5-7-17(12)19)18-8-4-14(10-20-18)3-6-16-11-22-13(2)21-16;1-13-3-7-16(8-4-13)18-10-6-15(11-19-18)5-9-17-12-21-14(2)20-17;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;1-13-20-15(12-22-13)8-6-14-7-9-17(19-11-14)21(2)16-5-3-4-10-18-16;;;;/h4,6,8-12H,1-3H3;3-4,6-8,10-11H,1H3;4-5,7-11H,1-2H3;3-4,6-8,10-12H,1-2H3;3-4,6-10H,1H3;3-5,7,9-12H,1-2H3;4*1H.

What are the key properties of 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?

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 has a molecular weight of 2003.13 g/mol, XLogP of 10.03, 8 rotatable bonds, 0 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-[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 is sourced from PubChem (CID 157246107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).