4-[2-(5-chloro-3-pyridinyl)ethynyl]-2-methyl-1,3-thiazole;4-[2-[6-(2-ethoxyphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;4-[2-[6-(4-fluoropiperidin-1-yl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;N-methyl-5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]-N-propylpyridin-2-amine;2-methyl-4-[2-[6-(3-pyrazol-1-ylphenyl)-3-pyridinyl]ethynyl]-1,3-thiazole;2-methyl-4-[2-(5-pyridin-3-yloxy-3-pyridinyl)ethynyl]-1,3-thiazole

C97H81ClFN17O2S6 — CID 159052120

About 4-[2-(5-chloro-3-pyridinyl)ethynyl]-2-methyl-1,3-thiazole;4-[2-[6-(2-ethoxyphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;4-[2-[6-(4-fluoropiperidin-1-yl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;N-methyl-5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]-N-propylpyridin-2-amine;2-methyl-4-[2-[6-(3-pyrazol-1-ylphenyl)-3-pyridinyl]ethynyl]-1,3-thiazole;2-methyl-4-[2-(5-pyridin-3-yloxy-3-pyridinyl)ethynyl]-1,3-thiazole

4-[2-(5-chloro-3-pyridinyl)ethynyl]-2-methyl-1,3-thiazole;4-[2-[6-(2-ethoxyphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;4-[2-[6-(4-fluoropiperidin-1-yl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;N-methyl-5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]-N-propylpyridin-2-amine;2-methyl-4-[2-[6-(3-pyrazol-1-ylphenyl)-3-pyridinyl]ethynyl]-1,3-thiazole;2-methyl-4-[2-(5-pyridin-3-yloxy-3-pyridinyl)ethynyl]-1,3-thiazole (PubChem CID 159052120) has the molecular formula C97H81ClFN17O2S6 and a molecular weight of 1763.68 g/mol. Its IUPAC name is 4-[2-(5-chloro-3-pyridinyl)ethynyl]-2-methyl-1,3-thiazole;4-[2-[6-(2-ethoxyphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;4-[2-[6-(4-fluoropiperidin-1-yl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;N-methyl-5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]-N-propylpyridin-2-amine;2-methyl-4-[2-[6-(3-pyrazol-1-ylphenyl)-3-pyridinyl]ethynyl]-1,3-thiazole;2-methyl-4-[2-(5-pyridin-3-yloxy-3-pyridinyl)ethynyl]-1,3-thiazole.

Molecular Properties

• Compound Name: 4-[2-(5-chloro-3-pyridinyl)ethynyl]-2-methyl-1,3-thiazole;4-[2-[6-(2-ethoxyphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;4-[2-[6-(4-fluoropiperidin-1-yl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;N-methyl-5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]-N-propylpyridin-2-amine;2-methyl-4-[2-[6-(3-pyrazol-1-ylphenyl)-3-pyridinyl]ethynyl]-1,3-thiazole;2-methyl-4-[2-(5-pyridin-3-yloxy-3-pyridinyl)ethynyl]-1,3-thiazole
• PubChem CID: 159052120
• Molecular Formula: C97H81ClFN17O2S6
• Molecular Weight: 1763.68 g/mol
• Exact Mass: 1761.48
• IUPAC Name: 4-[2-(5-chloro-3-pyridinyl)ethynyl]-2-methyl-1,3-thiazole;4-[2-[6-(2-ethoxyphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;4-[2-[6-(4-fluoropiperidin-1-yl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;N-methyl-5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]-N-propylpyridin-2-amine;2-methyl-4-[2-[6-(3-pyrazol-1-ylphenyl)-3-pyridinyl]ethynyl]-1,3-thiazole;2-methyl-4-[2-(5-pyridin-3-yloxy-3-pyridinyl)ethynyl]-1,3-thiazole
• SMILES: CCCN(C)c1ccc(C#Cc2csc(C)n2)cn1.CCOc1ccccc1-c1ccc(C#Cc2csc(C)n2)cn1.Cc1nc(C#Cc2ccc(-c3cccc(-n4cccn4)c3)nc2)cs1.Cc1nc(C#Cc2ccc(N3CCC(F)CC3)nc2)cs1.Cc1nc(C#Cc2cncc(Cl)c2)cs1.Cc1nc(C#Cc2cncc(Oc3cccnc3)c2)cs1
• InChI: InChI=1S/C20H14N4S.C19H16N2OS.C16H16FN3S.C16H11N3OS.C15H17N3S.C11H7ClN2S/c1-15-23-18(14-25-15)8-6-16-7-9-20(21-13-16)17-4-2-5-19(12-17)24-11-3-10-22-24;1-3-22-19-7-5-4-6-17(19)18-11-9-15(12-20-18)8-10-16-13-23-14(2)21-16;1-12-19-15(11-21-12)4-2-13-3-5-16(18-10-13)20-8-6-14(17)7-9-20;1-12-19-14(11-21-12)5-4-13-7-16(10-18-8-13)20-15-3-2-6-17-9-15;1-4-9-18(3)15-8-6-13(10-16-15)5-7-14-11-19-12(2)17-14;1-8-14-11(7-15-8)3-2-9-4-10(12)6-13-5-9/h2-5,7,9-14H,1H3;4-7,9,11-13H,3H2,1-2H3;3,5,10-11,14H,6-9H2,1H3;2-3,6-11H,1H3;6,8,10-11H,4,9H2,1-3H3;4-7H,1H3
• InChIKey: JXJVNHYHXKGLFZ-UHFFFAOYSA-N
• XLogP: 21.02
• TPSA: 210.33 Ų
• H-Bond Acceptors: 25
• Rotatable Bonds: 11
• Heavy Atoms: 124
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1763.68
LogP ≤ 5	21.02
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[2-(5-chloro-3-pyridinyl)ethynyl]-2-methyl-1,3-thiazole;4-[2-[6-(2-ethoxyphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;4-[2-[6-(4-fluoropiperidin-1-yl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;N-methyl-5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]-N-propylpyridin-2-amine;2-methyl-4-[2-[6-(3-pyrazol-1-ylphenyl)-3-pyridinyl]ethynyl]-1,3-thiazole;2-methyl-4-[2-(5-pyridin-3-yloxy-3-pyridinyl)ethynyl]-1,3-thiazole?

The IUPAC name of 4-[2-(5-chloro-3-pyridinyl)ethynyl]-2-methyl-1,3-thiazole;4-[2-[6-(2-ethoxyphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;4-[2-[6-(4-fluoropiperidin-1-yl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;N-methyl-5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]-N-propylpyridin-2-amine;2-methyl-4-[2-[6-(3-pyrazol-1-ylphenyl)-3-pyridinyl]ethynyl]-1,3-thiazole;2-methyl-4-[2-(5-pyridin-3-yloxy-3-pyridinyl)ethynyl]-1,3-thiazole (CID 159052120) is 4-[2-(5-chloro-3-pyridinyl)ethynyl]-2-methyl-1,3-thiazole;4-[2-[6-(2-ethoxyphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;4-[2-[6-(4-fluoropiperidin-1-yl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;N-methyl-5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]-N-propylpyridin-2-amine;2-methyl-4-[2-[6-(3-pyrazol-1-ylphenyl)-3-pyridinyl]ethynyl]-1,3-thiazole;2-methyl-4-[2-(5-pyridin-3-yloxy-3-pyridinyl)ethynyl]-1,3-thiazole.

What is the SMILES notation for 4-[2-(5-chloro-3-pyridinyl)ethynyl]-2-methyl-1,3-thiazole;4-[2-[6-(2-ethoxyphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;4-[2-[6-(4-fluoropiperidin-1-yl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;N-methyl-5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]-N-propylpyridin-2-amine;2-methyl-4-[2-[6-(3-pyrazol-1-ylphenyl)-3-pyridinyl]ethynyl]-1,3-thiazole;2-methyl-4-[2-(5-pyridin-3-yloxy-3-pyridinyl)ethynyl]-1,3-thiazole?

The canonical SMILES for 4-[2-(5-chloro-3-pyridinyl)ethynyl]-2-methyl-1,3-thiazole;4-[2-[6-(2-ethoxyphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;4-[2-[6-(4-fluoropiperidin-1-yl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;N-methyl-5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]-N-propylpyridin-2-amine;2-methyl-4-[2-[6-(3-pyrazol-1-ylphenyl)-3-pyridinyl]ethynyl]-1,3-thiazole;2-methyl-4-[2-(5-pyridin-3-yloxy-3-pyridinyl)ethynyl]-1,3-thiazole is CCCN(C)c1ccc(C#Cc2csc(C)n2)cn1.CCOc1ccccc1-c1ccc(C#Cc2csc(C)n2)cn1.Cc1nc(C#Cc2ccc(-c3cccc(-n4cccn4)c3)nc2)cs1.Cc1nc(C#Cc2ccc(N3CCC(F)CC3)nc2)cs1.Cc1nc(C#Cc2cncc(Cl)c2)cs1.Cc1nc(C#Cc2cncc(Oc3cccnc3)c2)cs1.

What is the InChIKey of 4-[2-(5-chloro-3-pyridinyl)ethynyl]-2-methyl-1,3-thiazole;4-[2-[6-(2-ethoxyphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;4-[2-[6-(4-fluoropiperidin-1-yl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;N-methyl-5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]-N-propylpyridin-2-amine;2-methyl-4-[2-[6-(3-pyrazol-1-ylphenyl)-3-pyridinyl]ethynyl]-1,3-thiazole;2-methyl-4-[2-(5-pyridin-3-yloxy-3-pyridinyl)ethynyl]-1,3-thiazole?

The InChIKey is JXJVNHYHXKGLFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N4S.C19H16N2OS.C16H16FN3S.C16H11N3OS.C15H17N3S.C11H7ClN2S/c1-15-23-18(14-25-15)8-6-16-7-9-20(21-13-16)17-4-2-5-19(12-17)24-11-3-10-22-24;1-3-22-19-7-5-4-6-17(19)18-11-9-15(12-20-18)8-10-16-13-23-14(2)21-16;1-12-19-15(11-21-12)4-2-13-3-5-16(18-10-13)20-8-6-14(17)7-9-20;1-12-19-14(11-21-12)5-4-13-7-16(10-18-8-13)20-15-3-2-6-17-9-15;1-4-9-18(3)15-8-6-13(10-16-15)5-7-14-11-19-12(2)17-14;1-8-14-11(7-15-8)3-2-9-4-10(12)6-13-5-9/h2-5,7,9-14H,1H3;4-7,9,11-13H,3H2,1-2H3;3,5,10-11,14H,6-9H2,1H3;2-3,6-11H,1H3;6,8,10-11H,4,9H2,1-3H3;4-7H,1H3.

What are the key properties of 4-[2-(5-chloro-3-pyridinyl)ethynyl]-2-methyl-1,3-thiazole;4-[2-[6-(2-ethoxyphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;4-[2-[6-(4-fluoropiperidin-1-yl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;N-methyl-5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]-N-propylpyridin-2-amine;2-methyl-4-[2-[6-(3-pyrazol-1-ylphenyl)-3-pyridinyl]ethynyl]-1,3-thiazole;2-methyl-4-[2-(5-pyridin-3-yloxy-3-pyridinyl)ethynyl]-1,3-thiazole?

4-[2-(5-chloro-3-pyridinyl)ethynyl]-2-methyl-1,3-thiazole;4-[2-[6-(2-ethoxyphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;4-[2-[6-(4-fluoropiperidin-1-yl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;N-methyl-5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]-N-propylpyridin-2-amine;2-methyl-4-[2-[6-(3-pyrazol-1-ylphenyl)-3-pyridinyl]ethynyl]-1,3-thiazole;2-methyl-4-[2-(5-pyridin-3-yloxy-3-pyridinyl)ethynyl]-1,3-thiazole has a molecular weight of 1763.68 g/mol, XLogP of 21.02, 11 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-(5-chloro-3-pyridinyl)ethynyl]-2-methyl-1,3-thiazole;4-[2-[6-(2-ethoxyphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;4-[2-[6-(4-fluoropiperidin-1-yl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;N-methyl-5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]-N-propylpyridin-2-amine;2-methyl-4-[2-[6-(3-pyrazol-1-ylphenyl)-3-pyridinyl]ethynyl]-1,3-thiazole;2-methyl-4-[2-(5-pyridin-3-yloxy-3-pyridinyl)ethynyl]-1,3-thiazole is sourced from PubChem (CID 159052120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).