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;2-methyl-4-[2-[2-(2-methylsulfanylphenyl)pyrimidin-5-yl]ethynyl]-1,3-thiazole;2-methyl-4-[2-(6-piperidin-1-yl-3-pyridinyl)ethynyl]-1,3-thiazole;2-methyl-4-[2-(6-pyrrolo[2,3-b]pyridin-1-yl-3-pyridinyl)ethynyl]-1,3-thiazole;2-methyl-4-[2-(6-pyrrolo[2,3-c]pyridin-1-yl-3-pyridinyl)ethynyl]-1,3-thiazole

C103H79ClN20S7 — CID 158089753

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;2-methyl-4-[2-[2-(2-methylsulfanylphenyl)pyrimidin-5-yl]ethynyl]-1,3-thiazole;2-methyl-4-[2-(6-piperidin-1-yl-3-pyridinyl)ethynyl]-1,3-thiazole;2-methyl-4-[2-(6-pyrrolo[2,3-b]pyridin-1-yl-3-pyridinyl)ethynyl]-1,3-thiazole;2-methyl-4-[2-(6-pyrrolo[2,3-c]pyridin-1-yl-3-pyridinyl)ethynyl]-1,3-thiazole

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;2-methyl-4-[2-[2-(2-methylsulfanylphenyl)pyrimidin-5-yl]ethynyl]-1,3-thiazole;2-methyl-4-[2-(6-piperidin-1-yl-3-pyridinyl)ethynyl]-1,3-thiazole;2-methyl-4-[2-(6-pyrrolo[2,3-b]pyridin-1-yl-3-pyridinyl)ethynyl]-1,3-thiazole;2-methyl-4-[2-(6-pyrrolo[2,3-c]pyridin-1-yl-3-pyridinyl)ethynyl]-1,3-thiazole (PubChem CID 158089753) has the molecular formula C103H79ClN20S7 and a molecular weight of 1856.83 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;2-methyl-4-[2-[2-(2-methylsulfanylphenyl)pyrimidin-5-yl]ethynyl]-1,3-thiazole;2-methyl-4-[2-(6-piperidin-1-yl-3-pyridinyl)ethynyl]-1,3-thiazole;2-methyl-4-[2-(6-pyrrolo[2,3-b]pyridin-1-yl-3-pyridinyl)ethynyl]-1,3-thiazole;2-methyl-4-[2-(6-pyrrolo[2,3-c]pyridin-1-yl-3-pyridinyl)ethynyl]-1,3-thiazole.

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;2-methyl-4-[2-[2-(2-methylsulfanylphenyl)pyrimidin-5-yl]ethynyl]-1,3-thiazole;2-methyl-4-[2-(6-piperidin-1-yl-3-pyridinyl)ethynyl]-1,3-thiazole;2-methyl-4-[2-(6-pyrrolo[2,3-b]pyridin-1-yl-3-pyridinyl)ethynyl]-1,3-thiazole;2-methyl-4-[2-(6-pyrrolo[2,3-c]pyridin-1-yl-3-pyridinyl)ethynyl]-1,3-thiazole
• PubChem CID: 158089753
• Molecular Formula: C103H79ClN20S7
• Molecular Weight: 1856.83 g/mol
• Exact Mass: 1854.45
• 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;2-methyl-4-[2-[2-(2-methylsulfanylphenyl)pyrimidin-5-yl]ethynyl]-1,3-thiazole;2-methyl-4-[2-(6-piperidin-1-yl-3-pyridinyl)ethynyl]-1,3-thiazole;2-methyl-4-[2-(6-pyrrolo[2,3-b]pyridin-1-yl-3-pyridinyl)ethynyl]-1,3-thiazole;2-methyl-4-[2-(6-pyrrolo[2,3-c]pyridin-1-yl-3-pyridinyl)ethynyl]-1,3-thiazole
• SMILES: CSc1ccccc1-c1ncc(C#Cc2csc(C)n2)cn1.Cc1nc(C#Cc2ccc(-n3ccc4cccnc43)nc2)cs1.Cc1nc(C#Cc2ccc(-n3ccc4ccncc43)nc2)cs1.Cc1nc(C#Cc2ccc(N3CCCCC3)nc2)cs1.Cc1nc(C#Cc2cnc(-c3cccc(C)c3C)nc2)cs1.Cc1nc(C#Cc2cnc(-c3ccccc3Cl)nc2)cs1
• InChI: InChI=1S/2C18H12N4S.C18H15N3S.C17H13N3S2.C16H10ClN3S.C16H17N3S/c1-13-21-16(12-23-13)4-2-14-3-5-18(20-10-14)22-9-7-15-6-8-19-11-17(15)22;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;1-11-20-13(10-21-11)7-6-12-8-18-16(19-9-12)14-4-2-3-5-15(14)17;1-13-18-15(12-20-13)7-5-14-6-8-16(17-11-14)19-9-3-2-4-10-19/h3,5-12H,1H3;2-3,5,7-12H,1H3;4-6,9-11H,1-3H3;3-6,9-11H,1-2H3;2-5,8-10H,1H3;6,8,11-12H,2-4,9-10H2,1H3
• InChIKey: FNYLRPZUKIVSIM-UHFFFAOYSA-N
• XLogP: 22.32
• TPSA: 232.23 Ų
• H-Bond Acceptors: 27
• Rotatable Bonds: 7
• Heavy Atoms: 131
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1856.83
LogP ≤ 5	22.32
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;2-methyl-4-[2-[2-(2-methylsulfanylphenyl)pyrimidin-5-yl]ethynyl]-1,3-thiazole;2-methyl-4-[2-(6-piperidin-1-yl-3-pyridinyl)ethynyl]-1,3-thiazole;2-methyl-4-[2-(6-pyrrolo[2,3-b]pyridin-1-yl-3-pyridinyl)ethynyl]-1,3-thiazole;2-methyl-4-[2-(6-pyrrolo[2,3-c]pyridin-1-yl-3-pyridinyl)ethynyl]-1,3-thiazole?

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;2-methyl-4-[2-[2-(2-methylsulfanylphenyl)pyrimidin-5-yl]ethynyl]-1,3-thiazole;2-methyl-4-[2-(6-piperidin-1-yl-3-pyridinyl)ethynyl]-1,3-thiazole;2-methyl-4-[2-(6-pyrrolo[2,3-b]pyridin-1-yl-3-pyridinyl)ethynyl]-1,3-thiazole;2-methyl-4-[2-(6-pyrrolo[2,3-c]pyridin-1-yl-3-pyridinyl)ethynyl]-1,3-thiazole (CID 158089753) 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;2-methyl-4-[2-[2-(2-methylsulfanylphenyl)pyrimidin-5-yl]ethynyl]-1,3-thiazole;2-methyl-4-[2-(6-piperidin-1-yl-3-pyridinyl)ethynyl]-1,3-thiazole;2-methyl-4-[2-(6-pyrrolo[2,3-b]pyridin-1-yl-3-pyridinyl)ethynyl]-1,3-thiazole;2-methyl-4-[2-(6-pyrrolo[2,3-c]pyridin-1-yl-3-pyridinyl)ethynyl]-1,3-thiazole.

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;2-methyl-4-[2-[2-(2-methylsulfanylphenyl)pyrimidin-5-yl]ethynyl]-1,3-thiazole;2-methyl-4-[2-(6-piperidin-1-yl-3-pyridinyl)ethynyl]-1,3-thiazole;2-methyl-4-[2-(6-pyrrolo[2,3-b]pyridin-1-yl-3-pyridinyl)ethynyl]-1,3-thiazole;2-methyl-4-[2-(6-pyrrolo[2,3-c]pyridin-1-yl-3-pyridinyl)ethynyl]-1,3-thiazole?

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;2-methyl-4-[2-[2-(2-methylsulfanylphenyl)pyrimidin-5-yl]ethynyl]-1,3-thiazole;2-methyl-4-[2-(6-piperidin-1-yl-3-pyridinyl)ethynyl]-1,3-thiazole;2-methyl-4-[2-(6-pyrrolo[2,3-b]pyridin-1-yl-3-pyridinyl)ethynyl]-1,3-thiazole;2-methyl-4-[2-(6-pyrrolo[2,3-c]pyridin-1-yl-3-pyridinyl)ethynyl]-1,3-thiazole is CSc1ccccc1-c1ncc(C#Cc2csc(C)n2)cn1.Cc1nc(C#Cc2ccc(-n3ccc4cccnc43)nc2)cs1.Cc1nc(C#Cc2ccc(-n3ccc4ccncc43)nc2)cs1.Cc1nc(C#Cc2ccc(N3CCCCC3)nc2)cs1.Cc1nc(C#Cc2cnc(-c3cccc(C)c3C)nc2)cs1.Cc1nc(C#Cc2cnc(-c3ccccc3Cl)nc2)cs1.

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;2-methyl-4-[2-[2-(2-methylsulfanylphenyl)pyrimidin-5-yl]ethynyl]-1,3-thiazole;2-methyl-4-[2-(6-piperidin-1-yl-3-pyridinyl)ethynyl]-1,3-thiazole;2-methyl-4-[2-(6-pyrrolo[2,3-b]pyridin-1-yl-3-pyridinyl)ethynyl]-1,3-thiazole;2-methyl-4-[2-(6-pyrrolo[2,3-c]pyridin-1-yl-3-pyridinyl)ethynyl]-1,3-thiazole?

The InChIKey is FNYLRPZUKIVSIM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H12N4S.C18H15N3S.C17H13N3S2.C16H10ClN3S.C16H17N3S/c1-13-21-16(12-23-13)4-2-14-3-5-18(20-10-14)22-9-7-15-6-8-19-11-17(15)22;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;1-11-20-13(10-21-11)7-6-12-8-18-16(19-9-12)14-4-2-3-5-15(14)17;1-13-18-15(12-20-13)7-5-14-6-8-16(17-11-14)19-9-3-2-4-10-19/h3,5-12H,1H3;2-3,5,7-12H,1H3;4-6,9-11H,1-3H3;3-6,9-11H,1-2H3;2-5,8-10H,1H3;6,8,11-12H,2-4,9-10H2,1H3.

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;2-methyl-4-[2-[2-(2-methylsulfanylphenyl)pyrimidin-5-yl]ethynyl]-1,3-thiazole;2-methyl-4-[2-(6-piperidin-1-yl-3-pyridinyl)ethynyl]-1,3-thiazole;2-methyl-4-[2-(6-pyrrolo[2,3-b]pyridin-1-yl-3-pyridinyl)ethynyl]-1,3-thiazole;2-methyl-4-[2-(6-pyrrolo[2,3-c]pyridin-1-yl-3-pyridinyl)ethynyl]-1,3-thiazole?

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;2-methyl-4-[2-[2-(2-methylsulfanylphenyl)pyrimidin-5-yl]ethynyl]-1,3-thiazole;2-methyl-4-[2-(6-piperidin-1-yl-3-pyridinyl)ethynyl]-1,3-thiazole;2-methyl-4-[2-(6-pyrrolo[2,3-b]pyridin-1-yl-3-pyridinyl)ethynyl]-1,3-thiazole;2-methyl-4-[2-(6-pyrrolo[2,3-c]pyridin-1-yl-3-pyridinyl)ethynyl]-1,3-thiazole has a molecular weight of 1856.83 g/mol, XLogP of 22.32, 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;2-methyl-4-[2-[2-(2-methylsulfanylphenyl)pyrimidin-5-yl]ethynyl]-1,3-thiazole;2-methyl-4-[2-(6-piperidin-1-yl-3-pyridinyl)ethynyl]-1,3-thiazole;2-methyl-4-[2-(6-pyrrolo[2,3-b]pyridin-1-yl-3-pyridinyl)ethynyl]-1,3-thiazole;2-methyl-4-[2-(6-pyrrolo[2,3-c]pyridin-1-yl-3-pyridinyl)ethynyl]-1,3-thiazole is sourced from PubChem (CID 158089753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).