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

C106H112N16O2S9 — CID 158206482

About 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

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 (PubChem CID 158206482) has the molecular formula C106H112N16O2S9 and a molecular weight of 1930.77 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 158206482
• Molecular Formula: C106H112N16O2S9
• Molecular Weight: 1930.77 g/mol
• Exact Mass: 1928.66
• IUPAC Name: 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
• SMILES: Cc1nc(C#Cc2ccc(C(C)(C)C)nc2)cs1.Cc1nc(C#Cc2ccc(C3CCCCC3)nc2)cs1.Cc1nc(C#Cc2ccc(OC(C)(C)C)nc2)cs1.Cc1nc(C#Cc2ccc(OC(C)C)nc2)cs1.Cc1nc(C#Cc2ccc(SC(C)(C)C)nc2)cs1.Cc1nc(C#Cc2cnc(C3CCCCC3)nc2)cs1.Cc1nc(C#Cc2cnc(SC(C)(C)C)nc2)cs1
• InChI: InChI=1S/C17H18N2S.C16H17N3S.C15H16N2OS.C15H16N2S2.C15H16N2S.C14H15N3S2.C14H14N2OS/c1-13-19-16(12-20-13)9-7-14-8-10-17(18-11-14)15-5-3-2-4-6-15;1-12-19-15(11-20-12)8-7-13-9-17-16(18-10-13)14-5-3-2-4-6-14;1-11-17-13(10-19-11)7-5-12-6-8-14(16-9-12)18-15(2,3)4;1-11-17-13(10-18-11)7-5-12-6-8-14(16-9-12)19-15(2,3)4;1-11-17-13(10-18-11)7-5-12-6-8-14(16-9-12)15(2,3)4;1-10-17-12(9-18-10)6-5-11-7-15-13(16-8-11)19-14(2,3)4;1-10(2)17-14-7-5-12(8-15-14)4-6-13-9-18-11(3)16-13/h8,10-12,15H,2-6H2,1H3;9-11,14H,2-6H2,1H3;2*6,8-10H,1-4H3;6,8-10H,1-4H3;7-9H,1-4H3;5,7-10H,1-3H3
• InChIKey: GBOFFBFBZIYPDX-UHFFFAOYSA-N
• XLogP: 25.65
• TPSA: 224.70 Ų
• H-Bond Acceptors: 27
• Rotatable Bonds: 7
• Heavy Atoms: 133
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1930.77
LogP ≤ 5	25.65
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is Cc1nc(C#Cc2ccc(C(C)(C)C)nc2)cs1.Cc1nc(C#Cc2ccc(C3CCCCC3)nc2)cs1.Cc1nc(C#Cc2ccc(OC(C)(C)C)nc2)cs1.Cc1nc(C#Cc2ccc(OC(C)C)nc2)cs1.Cc1nc(C#Cc2ccc(SC(C)(C)C)nc2)cs1.Cc1nc(C#Cc2cnc(C3CCCCC3)nc2)cs1.Cc1nc(C#Cc2cnc(SC(C)(C)C)nc2)cs1.

What is the InChIKey of 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?

The InChIKey is GBOFFBFBZIYPDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2S.C16H17N3S.C15H16N2OS.C15H16N2S2.C15H16N2S.C14H15N3S2.C14H14N2OS/c1-13-19-16(12-20-13)9-7-14-8-10-17(18-11-14)15-5-3-2-4-6-15;1-12-19-15(11-20-12)8-7-13-9-17-16(18-10-13)14-5-3-2-4-6-14;1-11-17-13(10-19-11)7-5-12-6-8-14(16-9-12)18-15(2,3)4;1-11-17-13(10-18-11)7-5-12-6-8-14(16-9-12)19-15(2,3)4;1-11-17-13(10-18-11)7-5-12-6-8-14(16-9-12)15(2,3)4;1-10-17-12(9-18-10)6-5-11-7-15-13(16-8-11)19-14(2,3)4;1-10(2)17-14-7-5-12(8-15-14)4-6-13-9-18-11(3)16-13/h8,10-12,15H,2-6H2,1H3;9-11,14H,2-6H2,1H3;2*6,8-10H,1-4H3;6,8-10H,1-4H3;7-9H,1-4H3;5,7-10H,1-3H3.

What are the key properties of 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?

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 has a molecular weight of 1930.77 g/mol, XLogP of 25.65, 7 rotatable bonds, 0 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 158206482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).