4-[2-(6-butan-2-ylsulfanyl-3-pyridinyl)ethynyl]-2-methyl-1,3-thiazole;4-[2-(5-ethenyl-3-pyridinyl)ethynyl]-2-methyl-1,3-thiazole;2-methyl-4-[2-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]ethynyl]-1,3-thiazole;N-methyl-5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]-N-pyridin-3-ylpyridin-3-amine;2-methyl-4-[2-(6-phenoxy-3-pyridinyl)ethynyl]-1,3-thiazole;3-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]-3-pyridinyl]benzonitrile;[2-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]-3-pyridinyl]phenyl]methanol

C115H96N18O2S8 — CID 159127290

About 4-[2-(6-butan-2-ylsulfanyl-3-pyridinyl)ethynyl]-2-methyl-1,3-thiazole;4-[2-(5-ethenyl-3-pyridinyl)ethynyl]-2-methyl-1,3-thiazole;2-methyl-4-[2-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]ethynyl]-1,3-thiazole;N-methyl-5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]-N-pyridin-3-ylpyridin-3-amine;2-methyl-4-[2-(6-phenoxy-3-pyridinyl)ethynyl]-1,3-thiazole;3-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]-3-pyridinyl]benzonitrile;[2-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]-3-pyridinyl]phenyl]methanol

4-[2-(6-butan-2-ylsulfanyl-3-pyridinyl)ethynyl]-2-methyl-1,3-thiazole;4-[2-(5-ethenyl-3-pyridinyl)ethynyl]-2-methyl-1,3-thiazole;2-methyl-4-[2-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]ethynyl]-1,3-thiazole;N-methyl-5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]-N-pyridin-3-ylpyridin-3-amine;2-methyl-4-[2-(6-phenoxy-3-pyridinyl)ethynyl]-1,3-thiazole;3-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]-3-pyridinyl]benzonitrile;[2-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]-3-pyridinyl]phenyl]methanol (PubChem CID 159127290) has the molecular formula C115H96N18O2S8 and a molecular weight of 2018.69 g/mol. Its IUPAC name is 4-[2-(6-butan-2-ylsulfanyl-3-pyridinyl)ethynyl]-2-methyl-1,3-thiazole;4-[2-(5-ethenyl-3-pyridinyl)ethynyl]-2-methyl-1,3-thiazole;2-methyl-4-[2-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]ethynyl]-1,3-thiazole;N-methyl-5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]-N-pyridin-3-ylpyridin-3-amine;2-methyl-4-[2-(6-phenoxy-3-pyridinyl)ethynyl]-1,3-thiazole;3-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]-3-pyridinyl]benzonitrile;[2-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]-3-pyridinyl]phenyl]methanol.

Molecular Properties

• Compound Name: 4-[2-(6-butan-2-ylsulfanyl-3-pyridinyl)ethynyl]-2-methyl-1,3-thiazole;4-[2-(5-ethenyl-3-pyridinyl)ethynyl]-2-methyl-1,3-thiazole;2-methyl-4-[2-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]ethynyl]-1,3-thiazole;N-methyl-5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]-N-pyridin-3-ylpyridin-3-amine;2-methyl-4-[2-(6-phenoxy-3-pyridinyl)ethynyl]-1,3-thiazole;3-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]-3-pyridinyl]benzonitrile;[2-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]-3-pyridinyl]phenyl]methanol
• PubChem CID: 159127290
• Molecular Formula: C115H96N18O2S8
• Molecular Weight: 2018.69 g/mol
• Exact Mass: 2016.57
• IUPAC Name: 4-[2-(6-butan-2-ylsulfanyl-3-pyridinyl)ethynyl]-2-methyl-1,3-thiazole;4-[2-(5-ethenyl-3-pyridinyl)ethynyl]-2-methyl-1,3-thiazole;2-methyl-4-[2-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]ethynyl]-1,3-thiazole;N-methyl-5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]-N-pyridin-3-ylpyridin-3-amine;2-methyl-4-[2-(6-phenoxy-3-pyridinyl)ethynyl]-1,3-thiazole;3-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]-3-pyridinyl]benzonitrile;[2-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]-3-pyridinyl]phenyl]methanol
• SMILES: C=Cc1cncc(C#Cc2csc(C)n2)c1.CCC(C)Sc1ccc(C#Cc2csc(C)n2)cn1.Cc1nc(C#Cc2ccc(N3CCC(C)CC3)nc2)cs1.Cc1nc(C#Cc2ccc(Oc3ccccc3)nc2)cs1.Cc1nc(C#Cc2cncc(-c3cccc(C#N)c3)c2)cs1.Cc1nc(C#Cc2cncc(-c3ccccc3CO)c2)cs1.Cc1nc(C#Cc2cncc(N(C)c3cccnc3)c2)cs1
• InChI: InChI=1S/C18H11N3S.C18H14N2OS.C17H14N4S.C17H19N3S.C17H12N2OS.C15H16N2S2.C13H10N2S/c1-13-21-18(12-22-13)6-5-15-8-17(11-20-10-15)16-4-2-3-14(7-16)9-19;1-13-20-17(12-22-13)7-6-14-8-16(10-19-9-14)18-5-3-2-4-15(18)11-21;1-13-20-15(12-22-13)6-5-14-8-17(11-19-9-14)21(2)16-4-3-7-18-10-16;1-13-7-9-20(10-8-13)17-6-4-15(11-18-17)3-5-16-12-21-14(2)19-16;1-13-19-15(12-21-13)9-7-14-8-10-17(18-11-14)20-16-5-3-2-4-6-16;1-4-11(2)19-15-8-6-13(9-16-15)5-7-14-10-18-12(3)17-14;1-3-11-6-12(8-14-7-11)4-5-13-9-16-10(2)15-13/h2-4,7-8,10-12H,1H3;2-5,8-10,12,21H,11H2,1H3;3-4,7-12H,1-2H3;4,6,11-13H,7-10H2,1-2H3;2-6,8,10-12H,1H3;6,8-11H,4H2,1-3H3;3,6-9H,1H2,2H3
• InChIKey: KGLCMWZDVVFYNY-UHFFFAOYSA-N
• XLogP: 25.15
• TPSA: 253.08 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 28
• Rotatable Bonds: 12
• Heavy Atoms: 143
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2018.69
LogP ≤ 5	25.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[2-(6-butan-2-ylsulfanyl-3-pyridinyl)ethynyl]-2-methyl-1,3-thiazole;4-[2-(5-ethenyl-3-pyridinyl)ethynyl]-2-methyl-1,3-thiazole;2-methyl-4-[2-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]ethynyl]-1,3-thiazole;N-methyl-5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]-N-pyridin-3-ylpyridin-3-amine;2-methyl-4-[2-(6-phenoxy-3-pyridinyl)ethynyl]-1,3-thiazole;3-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]-3-pyridinyl]benzonitrile;[2-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]-3-pyridinyl]phenyl]methanol?

The IUPAC name of 4-[2-(6-butan-2-ylsulfanyl-3-pyridinyl)ethynyl]-2-methyl-1,3-thiazole;4-[2-(5-ethenyl-3-pyridinyl)ethynyl]-2-methyl-1,3-thiazole;2-methyl-4-[2-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]ethynyl]-1,3-thiazole;N-methyl-5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]-N-pyridin-3-ylpyridin-3-amine;2-methyl-4-[2-(6-phenoxy-3-pyridinyl)ethynyl]-1,3-thiazole;3-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]-3-pyridinyl]benzonitrile;[2-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]-3-pyridinyl]phenyl]methanol (CID 159127290) is 4-[2-(6-butan-2-ylsulfanyl-3-pyridinyl)ethynyl]-2-methyl-1,3-thiazole;4-[2-(5-ethenyl-3-pyridinyl)ethynyl]-2-methyl-1,3-thiazole;2-methyl-4-[2-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]ethynyl]-1,3-thiazole;N-methyl-5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]-N-pyridin-3-ylpyridin-3-amine;2-methyl-4-[2-(6-phenoxy-3-pyridinyl)ethynyl]-1,3-thiazole;3-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]-3-pyridinyl]benzonitrile;[2-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]-3-pyridinyl]phenyl]methanol.

What is the SMILES notation for 4-[2-(6-butan-2-ylsulfanyl-3-pyridinyl)ethynyl]-2-methyl-1,3-thiazole;4-[2-(5-ethenyl-3-pyridinyl)ethynyl]-2-methyl-1,3-thiazole;2-methyl-4-[2-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]ethynyl]-1,3-thiazole;N-methyl-5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]-N-pyridin-3-ylpyridin-3-amine;2-methyl-4-[2-(6-phenoxy-3-pyridinyl)ethynyl]-1,3-thiazole;3-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]-3-pyridinyl]benzonitrile;[2-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]-3-pyridinyl]phenyl]methanol?

The canonical SMILES for 4-[2-(6-butan-2-ylsulfanyl-3-pyridinyl)ethynyl]-2-methyl-1,3-thiazole;4-[2-(5-ethenyl-3-pyridinyl)ethynyl]-2-methyl-1,3-thiazole;2-methyl-4-[2-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]ethynyl]-1,3-thiazole;N-methyl-5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]-N-pyridin-3-ylpyridin-3-amine;2-methyl-4-[2-(6-phenoxy-3-pyridinyl)ethynyl]-1,3-thiazole;3-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]-3-pyridinyl]benzonitrile;[2-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]-3-pyridinyl]phenyl]methanol is C=Cc1cncc(C#Cc2csc(C)n2)c1.CCC(C)Sc1ccc(C#Cc2csc(C)n2)cn1.Cc1nc(C#Cc2ccc(N3CCC(C)CC3)nc2)cs1.Cc1nc(C#Cc2ccc(Oc3ccccc3)nc2)cs1.Cc1nc(C#Cc2cncc(-c3cccc(C#N)c3)c2)cs1.Cc1nc(C#Cc2cncc(-c3ccccc3CO)c2)cs1.Cc1nc(C#Cc2cncc(N(C)c3cccnc3)c2)cs1.

What is the InChIKey of 4-[2-(6-butan-2-ylsulfanyl-3-pyridinyl)ethynyl]-2-methyl-1,3-thiazole;4-[2-(5-ethenyl-3-pyridinyl)ethynyl]-2-methyl-1,3-thiazole;2-methyl-4-[2-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]ethynyl]-1,3-thiazole;N-methyl-5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]-N-pyridin-3-ylpyridin-3-amine;2-methyl-4-[2-(6-phenoxy-3-pyridinyl)ethynyl]-1,3-thiazole;3-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]-3-pyridinyl]benzonitrile;[2-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]-3-pyridinyl]phenyl]methanol?

The InChIKey is KGLCMWZDVVFYNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11N3S.C18H14N2OS.C17H14N4S.C17H19N3S.C17H12N2OS.C15H16N2S2.C13H10N2S/c1-13-21-18(12-22-13)6-5-15-8-17(11-20-10-15)16-4-2-3-14(7-16)9-19;1-13-20-17(12-22-13)7-6-14-8-16(10-19-9-14)18-5-3-2-4-15(18)11-21;1-13-20-15(12-22-13)6-5-14-8-17(11-19-9-14)21(2)16-4-3-7-18-10-16;1-13-7-9-20(10-8-13)17-6-4-15(11-18-17)3-5-16-12-21-14(2)19-16;1-13-19-15(12-21-13)9-7-14-8-10-17(18-11-14)20-16-5-3-2-4-6-16;1-4-11(2)19-15-8-6-13(9-16-15)5-7-14-10-18-12(3)17-14;1-3-11-6-12(8-14-7-11)4-5-13-9-16-10(2)15-13/h2-4,7-8,10-12H,1H3;2-5,8-10,12,21H,11H2,1H3;3-4,7-12H,1-2H3;4,6,11-13H,7-10H2,1-2H3;2-6,8,10-12H,1H3;6,8-11H,4H2,1-3H3;3,6-9H,1H2,2H3.

What are the key properties of 4-[2-(6-butan-2-ylsulfanyl-3-pyridinyl)ethynyl]-2-methyl-1,3-thiazole;4-[2-(5-ethenyl-3-pyridinyl)ethynyl]-2-methyl-1,3-thiazole;2-methyl-4-[2-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]ethynyl]-1,3-thiazole;N-methyl-5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]-N-pyridin-3-ylpyridin-3-amine;2-methyl-4-[2-(6-phenoxy-3-pyridinyl)ethynyl]-1,3-thiazole;3-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]-3-pyridinyl]benzonitrile;[2-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]-3-pyridinyl]phenyl]methanol?

4-[2-(6-butan-2-ylsulfanyl-3-pyridinyl)ethynyl]-2-methyl-1,3-thiazole;4-[2-(5-ethenyl-3-pyridinyl)ethynyl]-2-methyl-1,3-thiazole;2-methyl-4-[2-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]ethynyl]-1,3-thiazole;N-methyl-5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]-N-pyridin-3-ylpyridin-3-amine;2-methyl-4-[2-(6-phenoxy-3-pyridinyl)ethynyl]-1,3-thiazole;3-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]-3-pyridinyl]benzonitrile;[2-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]-3-pyridinyl]phenyl]methanol has a molecular weight of 2018.69 g/mol, XLogP of 25.15, 12 rotatable bonds, 1 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-(6-butan-2-ylsulfanyl-3-pyridinyl)ethynyl]-2-methyl-1,3-thiazole;4-[2-(5-ethenyl-3-pyridinyl)ethynyl]-2-methyl-1,3-thiazole;2-methyl-4-[2-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]ethynyl]-1,3-thiazole;N-methyl-5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]-N-pyridin-3-ylpyridin-3-amine;2-methyl-4-[2-(6-phenoxy-3-pyridinyl)ethynyl]-1,3-thiazole;3-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]-3-pyridinyl]benzonitrile;[2-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]-3-pyridinyl]phenyl]methanol is sourced from PubChem (CID 159127290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).