4-[2-(5-cyclopropylpyridin-1-ium-3-yl)ethynyl]-2-methyl-1,3-thiazol-3-ium;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;2-methyl-4-[2-(5-methyl-3-pyridinyl)ethynyl]-1,3-thiazole;N-methyl-5-[2-(2-methyl-1,3-thiazol-3-ium-4-yl)ethynyl]-N-pyridin-3-ylpyridin-3-amine;2-methyl-4-[2-(6-phenoxy-3-pyridinyl)ethynyl]-1,3-thiazol-3-ium;2-methyl-4-[2-[6-[3-(trifluoromethyl)phenyl]-3-pyridinyl]ethynyl]-1,3-thiazole;trichloride

C108H92Cl3F3N17OS7+ — CID 159324224

About 4-[2-(5-cyclopropylpyridin-1-ium-3-yl)ethynyl]-2-methyl-1,3-thiazol-3-ium;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;2-methyl-4-[2-(5-methyl-3-pyridinyl)ethynyl]-1,3-thiazole;N-methyl-5-[2-(2-methyl-1,3-thiazol-3-ium-4-yl)ethynyl]-N-pyridin-3-ylpyridin-3-amine;2-methyl-4-[2-(6-phenoxy-3-pyridinyl)ethynyl]-1,3-thiazol-3-ium;2-methyl-4-[2-[6-[3-(trifluoromethyl)phenyl]-3-pyridinyl]ethynyl]-1,3-thiazole;trichloride

4-[2-(5-cyclopropylpyridin-1-ium-3-yl)ethynyl]-2-methyl-1,3-thiazol-3-ium;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;2-methyl-4-[2-(5-methyl-3-pyridinyl)ethynyl]-1,3-thiazole;N-methyl-5-[2-(2-methyl-1,3-thiazol-3-ium-4-yl)ethynyl]-N-pyridin-3-ylpyridin-3-amine;2-methyl-4-[2-(6-phenoxy-3-pyridinyl)ethynyl]-1,3-thiazol-3-ium;2-methyl-4-[2-[6-[3-(trifluoromethyl)phenyl]-3-pyridinyl]ethynyl]-1,3-thiazole;trichloride (PubChem CID 159324224) has the molecular formula C108H92Cl3F3N17OS7+ and a molecular weight of 2031.86 g/mol. Its IUPAC name is 4-[2-(5-cyclopropylpyridin-1-ium-3-yl)ethynyl]-2-methyl-1,3-thiazol-3-ium;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;2-methyl-4-[2-(5-methyl-3-pyridinyl)ethynyl]-1,3-thiazole;N-methyl-5-[2-(2-methyl-1,3-thiazol-3-ium-4-yl)ethynyl]-N-pyridin-3-ylpyridin-3-amine;2-methyl-4-[2-(6-phenoxy-3-pyridinyl)ethynyl]-1,3-thiazol-3-ium;2-methyl-4-[2-[6-[3-(trifluoromethyl)phenyl]-3-pyridinyl]ethynyl]-1,3-thiazole;trichloride.

Molecular Properties

• Compound Name: 4-[2-(5-cyclopropylpyridin-1-ium-3-yl)ethynyl]-2-methyl-1,3-thiazol-3-ium;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;2-methyl-4-[2-(5-methyl-3-pyridinyl)ethynyl]-1,3-thiazole;N-methyl-5-[2-(2-methyl-1,3-thiazol-3-ium-4-yl)ethynyl]-N-pyridin-3-ylpyridin-3-amine;2-methyl-4-[2-(6-phenoxy-3-pyridinyl)ethynyl]-1,3-thiazol-3-ium;2-methyl-4-[2-[6-[3-(trifluoromethyl)phenyl]-3-pyridinyl]ethynyl]-1,3-thiazole;trichloride
• PubChem CID: 159324224
• Molecular Formula: C108H92Cl3F3N17OS7+
• Molecular Weight: 2031.86 g/mol
• Exact Mass: 2028.47
• IUPAC Name: 4-[2-(5-cyclopropylpyridin-1-ium-3-yl)ethynyl]-2-methyl-1,3-thiazol-3-ium;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;2-methyl-4-[2-(5-methyl-3-pyridinyl)ethynyl]-1,3-thiazole;N-methyl-5-[2-(2-methyl-1,3-thiazol-3-ium-4-yl)ethynyl]-N-pyridin-3-ylpyridin-3-amine;2-methyl-4-[2-(6-phenoxy-3-pyridinyl)ethynyl]-1,3-thiazol-3-ium;2-methyl-4-[2-[6-[3-(trifluoromethyl)phenyl]-3-pyridinyl]ethynyl]-1,3-thiazole;trichloride
• SMILES: C=Cc1cncc(C#Cc2csc(C)n2)c1.Cc1[nH+]c(C#Cc2c[nH+]cc(C3CC3)c2)cs1.Cc1[nH+]c(C#Cc2ccc(Oc3ccccc3)nc2)cs1.Cc1[nH+]c(C#Cc2cncc(N(C)c3cccnc3)c2)cs1.Cc1cncc(C#Cc2csc(C)n2)c1.Cc1nc(C#Cc2ccc(-c3cccc(C(F)(F)F)c3)nc2)cs1.Cc1nc(C#Cc2ccc(N3CCC(C)CC3)nc2)cs1.[Cl-].[Cl-].[Cl-]
• InChI: InChI=1S/C18H11F3N2S.C17H14N4S.C17H19N3S.C17H12N2OS.C14H12N2S.C13H10N2S.C12H10N2S.3ClH/c1-12-23-16(11-24-12)7-5-13-6-8-17(22-10-13)14-3-2-4-15(9-14)18(19,20)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;1-10-16-14(9-17-10)5-2-11-6-13(8-15-7-11)12-3-4-12;1-3-11-6-12(8-14-7-11)4-5-13-9-16-10(2)15-13;1-9-5-11(7-13-6-9)3-4-12-8-15-10(2)14-12;;;/h2-4,6,8-11H,1H3;3-4,7-12H,1-2H3;4,6,11-13H,7-10H2,1-2H3;2-6,8,10-12H,1H3;6-9,12H,3-4H2,1H3;3,6-9H,1H2,2H3;5-8H,1-2H3;3*1H/p+1
• InChIKey: KRPHOSHTCGNMPB-UHFFFAOYSA-O
• XLogP: 13.12
• TPSA: 214.06 Ų
• H-Bond Acceptors: 21
• Rotatable Bonds: 8
• Heavy Atoms: 139
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2031.86
LogP ≤ 5	13.12
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[2-(5-cyclopropylpyridin-1-ium-3-yl)ethynyl]-2-methyl-1,3-thiazol-3-ium;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;2-methyl-4-[2-(5-methyl-3-pyridinyl)ethynyl]-1,3-thiazole;N-methyl-5-[2-(2-methyl-1,3-thiazol-3-ium-4-yl)ethynyl]-N-pyridin-3-ylpyridin-3-amine;2-methyl-4-[2-(6-phenoxy-3-pyridinyl)ethynyl]-1,3-thiazol-3-ium;2-methyl-4-[2-[6-[3-(trifluoromethyl)phenyl]-3-pyridinyl]ethynyl]-1,3-thiazole;trichloride?

The IUPAC name of 4-[2-(5-cyclopropylpyridin-1-ium-3-yl)ethynyl]-2-methyl-1,3-thiazol-3-ium;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;2-methyl-4-[2-(5-methyl-3-pyridinyl)ethynyl]-1,3-thiazole;N-methyl-5-[2-(2-methyl-1,3-thiazol-3-ium-4-yl)ethynyl]-N-pyridin-3-ylpyridin-3-amine;2-methyl-4-[2-(6-phenoxy-3-pyridinyl)ethynyl]-1,3-thiazol-3-ium;2-methyl-4-[2-[6-[3-(trifluoromethyl)phenyl]-3-pyridinyl]ethynyl]-1,3-thiazole;trichloride (CID 159324224) is 4-[2-(5-cyclopropylpyridin-1-ium-3-yl)ethynyl]-2-methyl-1,3-thiazol-3-ium;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;2-methyl-4-[2-(5-methyl-3-pyridinyl)ethynyl]-1,3-thiazole;N-methyl-5-[2-(2-methyl-1,3-thiazol-3-ium-4-yl)ethynyl]-N-pyridin-3-ylpyridin-3-amine;2-methyl-4-[2-(6-phenoxy-3-pyridinyl)ethynyl]-1,3-thiazol-3-ium;2-methyl-4-[2-[6-[3-(trifluoromethyl)phenyl]-3-pyridinyl]ethynyl]-1,3-thiazole;trichloride.

What is the SMILES notation for 4-[2-(5-cyclopropylpyridin-1-ium-3-yl)ethynyl]-2-methyl-1,3-thiazol-3-ium;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;2-methyl-4-[2-(5-methyl-3-pyridinyl)ethynyl]-1,3-thiazole;N-methyl-5-[2-(2-methyl-1,3-thiazol-3-ium-4-yl)ethynyl]-N-pyridin-3-ylpyridin-3-amine;2-methyl-4-[2-(6-phenoxy-3-pyridinyl)ethynyl]-1,3-thiazol-3-ium;2-methyl-4-[2-[6-[3-(trifluoromethyl)phenyl]-3-pyridinyl]ethynyl]-1,3-thiazole;trichloride?

The canonical SMILES for 4-[2-(5-cyclopropylpyridin-1-ium-3-yl)ethynyl]-2-methyl-1,3-thiazol-3-ium;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;2-methyl-4-[2-(5-methyl-3-pyridinyl)ethynyl]-1,3-thiazole;N-methyl-5-[2-(2-methyl-1,3-thiazol-3-ium-4-yl)ethynyl]-N-pyridin-3-ylpyridin-3-amine;2-methyl-4-[2-(6-phenoxy-3-pyridinyl)ethynyl]-1,3-thiazol-3-ium;2-methyl-4-[2-[6-[3-(trifluoromethyl)phenyl]-3-pyridinyl]ethynyl]-1,3-thiazole;trichloride is C=Cc1cncc(C#Cc2csc(C)n2)c1.Cc1[nH+]c(C#Cc2c[nH+]cc(C3CC3)c2)cs1.Cc1[nH+]c(C#Cc2ccc(Oc3ccccc3)nc2)cs1.Cc1[nH+]c(C#Cc2cncc(N(C)c3cccnc3)c2)cs1.Cc1cncc(C#Cc2csc(C)n2)c1.Cc1nc(C#Cc2ccc(-c3cccc(C(F)(F)F)c3)nc2)cs1.Cc1nc(C#Cc2ccc(N3CCC(C)CC3)nc2)cs1.[Cl-].[Cl-].[Cl-].

What is the InChIKey of 4-[2-(5-cyclopropylpyridin-1-ium-3-yl)ethynyl]-2-methyl-1,3-thiazol-3-ium;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;2-methyl-4-[2-(5-methyl-3-pyridinyl)ethynyl]-1,3-thiazole;N-methyl-5-[2-(2-methyl-1,3-thiazol-3-ium-4-yl)ethynyl]-N-pyridin-3-ylpyridin-3-amine;2-methyl-4-[2-(6-phenoxy-3-pyridinyl)ethynyl]-1,3-thiazol-3-ium;2-methyl-4-[2-[6-[3-(trifluoromethyl)phenyl]-3-pyridinyl]ethynyl]-1,3-thiazole;trichloride?

The InChIKey is KRPHOSHTCGNMPB-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H11F3N2S.C17H14N4S.C17H19N3S.C17H12N2OS.C14H12N2S.C13H10N2S.C12H10N2S.3ClH/c1-12-23-16(11-24-12)7-5-13-6-8-17(22-10-13)14-3-2-4-15(9-14)18(19,20)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;1-10-16-14(9-17-10)5-2-11-6-13(8-15-7-11)12-3-4-12;1-3-11-6-12(8-14-7-11)4-5-13-9-16-10(2)15-13;1-9-5-11(7-13-6-9)3-4-12-8-15-10(2)14-12;;;/h2-4,6,8-11H,1H3;3-4,7-12H,1-2H3;4,6,11-13H,7-10H2,1-2H3;2-6,8,10-12H,1H3;6-9,12H,3-4H2,1H3;3,6-9H,1H2,2H3;5-8H,1-2H3;3*1H/p+1.

What are the key properties of 4-[2-(5-cyclopropylpyridin-1-ium-3-yl)ethynyl]-2-methyl-1,3-thiazol-3-ium;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;2-methyl-4-[2-(5-methyl-3-pyridinyl)ethynyl]-1,3-thiazole;N-methyl-5-[2-(2-methyl-1,3-thiazol-3-ium-4-yl)ethynyl]-N-pyridin-3-ylpyridin-3-amine;2-methyl-4-[2-(6-phenoxy-3-pyridinyl)ethynyl]-1,3-thiazol-3-ium;2-methyl-4-[2-[6-[3-(trifluoromethyl)phenyl]-3-pyridinyl]ethynyl]-1,3-thiazole;trichloride?

4-[2-(5-cyclopropylpyridin-1-ium-3-yl)ethynyl]-2-methyl-1,3-thiazol-3-ium;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;2-methyl-4-[2-(5-methyl-3-pyridinyl)ethynyl]-1,3-thiazole;N-methyl-5-[2-(2-methyl-1,3-thiazol-3-ium-4-yl)ethynyl]-N-pyridin-3-ylpyridin-3-amine;2-methyl-4-[2-(6-phenoxy-3-pyridinyl)ethynyl]-1,3-thiazol-3-ium;2-methyl-4-[2-[6-[3-(trifluoromethyl)phenyl]-3-pyridinyl]ethynyl]-1,3-thiazole;trichloride has a molecular weight of 2031.86 g/mol, XLogP of 13.12, 8 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-(5-cyclopropylpyridin-1-ium-3-yl)ethynyl]-2-methyl-1,3-thiazol-3-ium;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;2-methyl-4-[2-(5-methyl-3-pyridinyl)ethynyl]-1,3-thiazole;N-methyl-5-[2-(2-methyl-1,3-thiazol-3-ium-4-yl)ethynyl]-N-pyridin-3-ylpyridin-3-amine;2-methyl-4-[2-(6-phenoxy-3-pyridinyl)ethynyl]-1,3-thiazol-3-ium;2-methyl-4-[2-[6-[3-(trifluoromethyl)phenyl]-3-pyridinyl]ethynyl]-1,3-thiazole;trichloride is sourced from PubChem (CID 159324224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).