4-[2-[2-(2-chlorophenyl)pyrimidin-5-yl]ethynyl]-2-methyl-1,3-thiazole;4-[2-[2-(2,3-dimethylphenyl)pyrimidin-5-yl]ethynyl]-2-methyl-1,3-thiazole;4-[2-[6-(5-fluoro-2-methylphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;2-methyl-4-[2-[2-(2-methylphenyl)pyrimidin-5-yl]ethynyl]-1,3-thiazole;2-methyl-4-[2-[2-(2-methylsulfanylphenyl)pyrimidin-5-yl]ethynyl]-1,3-thiazole;2-methyl-4-[2-(6-pyrrolo[2,3-b]pyridin-1-yl-3-pyridinyl)ethynyl]-1,3-thiazole;2,2,2-trifluoroacetate

C106H76ClF4N18O2S7- — CID 160993140

About 4-[2-[2-(2-chlorophenyl)pyrimidin-5-yl]ethynyl]-2-methyl-1,3-thiazole;4-[2-[2-(2,3-dimethylphenyl)pyrimidin-5-yl]ethynyl]-2-methyl-1,3-thiazole;4-[2-[6-(5-fluoro-2-methylphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;2-methyl-4-[2-[2-(2-methylphenyl)pyrimidin-5-yl]ethynyl]-1,3-thiazole;2-methyl-4-[2-[2-(2-methylsulfanylphenyl)pyrimidin-5-yl]ethynyl]-1,3-thiazole;2-methyl-4-[2-(6-pyrrolo[2,3-b]pyridin-1-yl-3-pyridinyl)ethynyl]-1,3-thiazole;2,2,2-trifluoroacetate

4-[2-[2-(2-chlorophenyl)pyrimidin-5-yl]ethynyl]-2-methyl-1,3-thiazole;4-[2-[2-(2,3-dimethylphenyl)pyrimidin-5-yl]ethynyl]-2-methyl-1,3-thiazole;4-[2-[6-(5-fluoro-2-methylphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;2-methyl-4-[2-[2-(2-methylphenyl)pyrimidin-5-yl]ethynyl]-1,3-thiazole;2-methyl-4-[2-[2-(2-methylsulfanylphenyl)pyrimidin-5-yl]ethynyl]-1,3-thiazole;2-methyl-4-[2-(6-pyrrolo[2,3-b]pyridin-1-yl-3-pyridinyl)ethynyl]-1,3-thiazole;2,2,2-trifluoroacetate (PubChem CID 160993140) has the molecular formula C106H76ClF4N18O2S7- and a molecular weight of 1969.81 g/mol. Its IUPAC name is 4-[2-[2-(2-chlorophenyl)pyrimidin-5-yl]ethynyl]-2-methyl-1,3-thiazole;4-[2-[2-(2,3-dimethylphenyl)pyrimidin-5-yl]ethynyl]-2-methyl-1,3-thiazole;4-[2-[6-(5-fluoro-2-methylphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;2-methyl-4-[2-[2-(2-methylphenyl)pyrimidin-5-yl]ethynyl]-1,3-thiazole;2-methyl-4-[2-[2-(2-methylsulfanylphenyl)pyrimidin-5-yl]ethynyl]-1,3-thiazole;2-methyl-4-[2-(6-pyrrolo[2,3-b]pyridin-1-yl-3-pyridinyl)ethynyl]-1,3-thiazole;2,2,2-trifluoroacetate.

Molecular Properties

• Compound Name: 4-[2-[2-(2-chlorophenyl)pyrimidin-5-yl]ethynyl]-2-methyl-1,3-thiazole;4-[2-[2-(2,3-dimethylphenyl)pyrimidin-5-yl]ethynyl]-2-methyl-1,3-thiazole;4-[2-[6-(5-fluoro-2-methylphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;2-methyl-4-[2-[2-(2-methylphenyl)pyrimidin-5-yl]ethynyl]-1,3-thiazole;2-methyl-4-[2-[2-(2-methylsulfanylphenyl)pyrimidin-5-yl]ethynyl]-1,3-thiazole;2-methyl-4-[2-(6-pyrrolo[2,3-b]pyridin-1-yl-3-pyridinyl)ethynyl]-1,3-thiazole;2,2,2-trifluoroacetate
• PubChem CID: 160993140
• Molecular Formula: C106H76ClF4N18O2S7-
• Molecular Weight: 1969.81 g/mol
• Exact Mass: 1967.41
• IUPAC Name: 4-[2-[2-(2-chlorophenyl)pyrimidin-5-yl]ethynyl]-2-methyl-1,3-thiazole;4-[2-[2-(2,3-dimethylphenyl)pyrimidin-5-yl]ethynyl]-2-methyl-1,3-thiazole;4-[2-[6-(5-fluoro-2-methylphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;2-methyl-4-[2-[2-(2-methylphenyl)pyrimidin-5-yl]ethynyl]-1,3-thiazole;2-methyl-4-[2-[2-(2-methylsulfanylphenyl)pyrimidin-5-yl]ethynyl]-1,3-thiazole;2-methyl-4-[2-(6-pyrrolo[2,3-b]pyridin-1-yl-3-pyridinyl)ethynyl]-1,3-thiazole;2,2,2-trifluoroacetate
• SMILES: CSc1ccccc1-c1ncc(C#Cc2csc(C)n2)cn1.Cc1nc(C#Cc2ccc(-c3cc(F)ccc3C)nc2)cs1.Cc1nc(C#Cc2ccc(-n3ccc4cccnc43)nc2)cs1.Cc1nc(C#Cc2cnc(-c3cccc(C)c3C)nc2)cs1.Cc1nc(C#Cc2cnc(-c3ccccc3C)nc2)cs1.Cc1nc(C#Cc2cnc(-c3ccccc3Cl)nc2)cs1.O=C([O-])C(F)(F)F
• InChI: InChI=1S/C18H13FN2S.C18H12N4S.C18H15N3S.C17H13N3S2.C17H13N3S.C16H10ClN3S.C2HF3O2/c1-12-3-6-15(19)9-17(12)18-8-5-14(10-20-18)4-7-16-11-22-13(2)21-16;1-13-21-16(12-23-13)6-4-14-5-7-17(20-11-14)22-10-8-15-3-2-9-19-18(15)22;1-12-5-4-6-17(13(12)2)18-19-9-15(10-20-18)7-8-16-11-22-14(3)21-16;1-12-20-14(11-22-12)8-7-13-9-18-17(19-10-13)15-5-3-4-6-16(15)21-2;1-12-5-3-4-6-16(12)17-18-9-14(10-19-17)7-8-15-11-21-13(2)20-15;1-11-20-13(10-21-11)7-6-12-8-18-16(19-9-12)14-4-2-3-5-15(14)17;3-2(4,5)1(6)7/h3,5-6,8-11H,1-2H3;2-3,5,7-12H,1H3;4-6,9-11H,1-3H3;3-6,9-11H,1-2H3;3-6,9-11H,1-2H3;2-5,8-10H,1H3;(H,6,7)/p-1
• InChIKey: AUKAJBVICBDOIQ-UHFFFAOYSA-M
• XLogP: 22.78
• TPSA: 264.19 Ų
• H-Bond Acceptors: 27
• Rotatable Bonds: 7
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1969.81
LogP ≤ 5	22.78
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-[2-(2-chlorophenyl)pyrimidin-5-yl]ethynyl]-2-methyl-1,3-thiazole;4-[2-[2-(2,3-dimethylphenyl)pyrimidin-5-yl]ethynyl]-2-methyl-1,3-thiazole;4-[2-[6-(5-fluoro-2-methylphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;2-methyl-4-[2-[2-(2-methylphenyl)pyrimidin-5-yl]ethynyl]-1,3-thiazole;2-methyl-4-[2-[2-(2-methylsulfanylphenyl)pyrimidin-5-yl]ethynyl]-1,3-thiazole;2-methyl-4-[2-(6-pyrrolo[2,3-b]pyridin-1-yl-3-pyridinyl)ethynyl]-1,3-thiazole;2,2,2-trifluoroacetate?

The IUPAC name of 4-[2-[2-(2-chlorophenyl)pyrimidin-5-yl]ethynyl]-2-methyl-1,3-thiazole;4-[2-[2-(2,3-dimethylphenyl)pyrimidin-5-yl]ethynyl]-2-methyl-1,3-thiazole;4-[2-[6-(5-fluoro-2-methylphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;2-methyl-4-[2-[2-(2-methylphenyl)pyrimidin-5-yl]ethynyl]-1,3-thiazole;2-methyl-4-[2-[2-(2-methylsulfanylphenyl)pyrimidin-5-yl]ethynyl]-1,3-thiazole;2-methyl-4-[2-(6-pyrrolo[2,3-b]pyridin-1-yl-3-pyridinyl)ethynyl]-1,3-thiazole;2,2,2-trifluoroacetate (CID 160993140) is 4-[2-[2-(2-chlorophenyl)pyrimidin-5-yl]ethynyl]-2-methyl-1,3-thiazole;4-[2-[2-(2,3-dimethylphenyl)pyrimidin-5-yl]ethynyl]-2-methyl-1,3-thiazole;4-[2-[6-(5-fluoro-2-methylphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;2-methyl-4-[2-[2-(2-methylphenyl)pyrimidin-5-yl]ethynyl]-1,3-thiazole;2-methyl-4-[2-[2-(2-methylsulfanylphenyl)pyrimidin-5-yl]ethynyl]-1,3-thiazole;2-methyl-4-[2-(6-pyrrolo[2,3-b]pyridin-1-yl-3-pyridinyl)ethynyl]-1,3-thiazole;2,2,2-trifluoroacetate.

What is the SMILES notation for 4-[2-[2-(2-chlorophenyl)pyrimidin-5-yl]ethynyl]-2-methyl-1,3-thiazole;4-[2-[2-(2,3-dimethylphenyl)pyrimidin-5-yl]ethynyl]-2-methyl-1,3-thiazole;4-[2-[6-(5-fluoro-2-methylphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;2-methyl-4-[2-[2-(2-methylphenyl)pyrimidin-5-yl]ethynyl]-1,3-thiazole;2-methyl-4-[2-[2-(2-methylsulfanylphenyl)pyrimidin-5-yl]ethynyl]-1,3-thiazole;2-methyl-4-[2-(6-pyrrolo[2,3-b]pyridin-1-yl-3-pyridinyl)ethynyl]-1,3-thiazole;2,2,2-trifluoroacetate?

The canonical SMILES for 4-[2-[2-(2-chlorophenyl)pyrimidin-5-yl]ethynyl]-2-methyl-1,3-thiazole;4-[2-[2-(2,3-dimethylphenyl)pyrimidin-5-yl]ethynyl]-2-methyl-1,3-thiazole;4-[2-[6-(5-fluoro-2-methylphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;2-methyl-4-[2-[2-(2-methylphenyl)pyrimidin-5-yl]ethynyl]-1,3-thiazole;2-methyl-4-[2-[2-(2-methylsulfanylphenyl)pyrimidin-5-yl]ethynyl]-1,3-thiazole;2-methyl-4-[2-(6-pyrrolo[2,3-b]pyridin-1-yl-3-pyridinyl)ethynyl]-1,3-thiazole;2,2,2-trifluoroacetate is CSc1ccccc1-c1ncc(C#Cc2csc(C)n2)cn1.Cc1nc(C#Cc2ccc(-c3cc(F)ccc3C)nc2)cs1.Cc1nc(C#Cc2ccc(-n3ccc4cccnc43)nc2)cs1.Cc1nc(C#Cc2cnc(-c3cccc(C)c3C)nc2)cs1.Cc1nc(C#Cc2cnc(-c3ccccc3C)nc2)cs1.Cc1nc(C#Cc2cnc(-c3ccccc3Cl)nc2)cs1.O=C([O-])C(F)(F)F.

What is the InChIKey of 4-[2-[2-(2-chlorophenyl)pyrimidin-5-yl]ethynyl]-2-methyl-1,3-thiazole;4-[2-[2-(2,3-dimethylphenyl)pyrimidin-5-yl]ethynyl]-2-methyl-1,3-thiazole;4-[2-[6-(5-fluoro-2-methylphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;2-methyl-4-[2-[2-(2-methylphenyl)pyrimidin-5-yl]ethynyl]-1,3-thiazole;2-methyl-4-[2-[2-(2-methylsulfanylphenyl)pyrimidin-5-yl]ethynyl]-1,3-thiazole;2-methyl-4-[2-(6-pyrrolo[2,3-b]pyridin-1-yl-3-pyridinyl)ethynyl]-1,3-thiazole;2,2,2-trifluoroacetate?

The InChIKey is AUKAJBVICBDOIQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H13FN2S.C18H12N4S.C18H15N3S.C17H13N3S2.C17H13N3S.C16H10ClN3S.C2HF3O2/c1-12-3-6-15(19)9-17(12)18-8-5-14(10-20-18)4-7-16-11-22-13(2)21-16;1-13-21-16(12-23-13)6-4-14-5-7-17(20-11-14)22-10-8-15-3-2-9-19-18(15)22;1-12-5-4-6-17(13(12)2)18-19-9-15(10-20-18)7-8-16-11-22-14(3)21-16;1-12-20-14(11-22-12)8-7-13-9-18-17(19-10-13)15-5-3-4-6-16(15)21-2;1-12-5-3-4-6-16(12)17-18-9-14(10-19-17)7-8-15-11-21-13(2)20-15;1-11-20-13(10-21-11)7-6-12-8-18-16(19-9-12)14-4-2-3-5-15(14)17;3-2(4,5)1(6)7/h3,5-6,8-11H,1-2H3;2-3,5,7-12H,1H3;4-6,9-11H,1-3H3;3-6,9-11H,1-2H3;3-6,9-11H,1-2H3;2-5,8-10H,1H3;(H,6,7)/p-1.

What are the key properties of 4-[2-[2-(2-chlorophenyl)pyrimidin-5-yl]ethynyl]-2-methyl-1,3-thiazole;4-[2-[2-(2,3-dimethylphenyl)pyrimidin-5-yl]ethynyl]-2-methyl-1,3-thiazole;4-[2-[6-(5-fluoro-2-methylphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;2-methyl-4-[2-[2-(2-methylphenyl)pyrimidin-5-yl]ethynyl]-1,3-thiazole;2-methyl-4-[2-[2-(2-methylsulfanylphenyl)pyrimidin-5-yl]ethynyl]-1,3-thiazole;2-methyl-4-[2-(6-pyrrolo[2,3-b]pyridin-1-yl-3-pyridinyl)ethynyl]-1,3-thiazole;2,2,2-trifluoroacetate?

4-[2-[2-(2-chlorophenyl)pyrimidin-5-yl]ethynyl]-2-methyl-1,3-thiazole;4-[2-[2-(2,3-dimethylphenyl)pyrimidin-5-yl]ethynyl]-2-methyl-1,3-thiazole;4-[2-[6-(5-fluoro-2-methylphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;2-methyl-4-[2-[2-(2-methylphenyl)pyrimidin-5-yl]ethynyl]-1,3-thiazole;2-methyl-4-[2-[2-(2-methylsulfanylphenyl)pyrimidin-5-yl]ethynyl]-1,3-thiazole;2-methyl-4-[2-(6-pyrrolo[2,3-b]pyridin-1-yl-3-pyridinyl)ethynyl]-1,3-thiazole;2,2,2-trifluoroacetate has a molecular weight of 1969.81 g/mol, XLogP of 22.78, 7 rotatable bonds, 0 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-[2-(2-chlorophenyl)pyrimidin-5-yl]ethynyl]-2-methyl-1,3-thiazole;4-[2-[2-(2,3-dimethylphenyl)pyrimidin-5-yl]ethynyl]-2-methyl-1,3-thiazole;4-[2-[6-(5-fluoro-2-methylphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;2-methyl-4-[2-[2-(2-methylphenyl)pyrimidin-5-yl]ethynyl]-1,3-thiazole;2-methyl-4-[2-[2-(2-methylsulfanylphenyl)pyrimidin-5-yl]ethynyl]-1,3-thiazole;2-methyl-4-[2-(6-pyrrolo[2,3-b]pyridin-1-yl-3-pyridinyl)ethynyl]-1,3-thiazole;2,2,2-trifluoroacetate is sourced from PubChem (CID 160993140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).