4-[2-[5-(3-chlorophenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;N-cyclobutyl-5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]pyridin-2-amine;4-[2-[6-(2,5-dimethylphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;4-[2-(6-indol-1-yl-3-pyridinyl)ethynyl]-2-methyl-1,3-thiazole;2-methyl-4-[2-[5-(pyridin-3-ylmethyl)-3-pyridinyl]ethynyl]-1,3-thiazole;4-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]-2-pyridinyl]thiomorpholine

C102H83ClN16S7 — CID 160596207

About 4-[2-[5-(3-chlorophenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;N-cyclobutyl-5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]pyridin-2-amine;4-[2-[6-(2,5-dimethylphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;4-[2-(6-indol-1-yl-3-pyridinyl)ethynyl]-2-methyl-1,3-thiazole;2-methyl-4-[2-[5-(pyridin-3-ylmethyl)-3-pyridinyl]ethynyl]-1,3-thiazole;4-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]-2-pyridinyl]thiomorpholine

4-[2-[5-(3-chlorophenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;N-cyclobutyl-5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]pyridin-2-amine;4-[2-[6-(2,5-dimethylphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;4-[2-(6-indol-1-yl-3-pyridinyl)ethynyl]-2-methyl-1,3-thiazole;2-methyl-4-[2-[5-(pyridin-3-ylmethyl)-3-pyridinyl]ethynyl]-1,3-thiazole;4-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]-2-pyridinyl]thiomorpholine (PubChem CID 160596207) has the molecular formula C102H83ClN16S7 and a molecular weight of 1792.82 g/mol. Its IUPAC name is 4-[2-[5-(3-chlorophenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;N-cyclobutyl-5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]pyridin-2-amine;4-[2-[6-(2,5-dimethylphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;4-[2-(6-indol-1-yl-3-pyridinyl)ethynyl]-2-methyl-1,3-thiazole;2-methyl-4-[2-[5-(pyridin-3-ylmethyl)-3-pyridinyl]ethynyl]-1,3-thiazole;4-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]-2-pyridinyl]thiomorpholine.

Molecular Properties

• Compound Name: 4-[2-[5-(3-chlorophenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;N-cyclobutyl-5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]pyridin-2-amine;4-[2-[6-(2,5-dimethylphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;4-[2-(6-indol-1-yl-3-pyridinyl)ethynyl]-2-methyl-1,3-thiazole;2-methyl-4-[2-[5-(pyridin-3-ylmethyl)-3-pyridinyl]ethynyl]-1,3-thiazole;4-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]-2-pyridinyl]thiomorpholine
• PubChem CID: 160596207
• Molecular Formula: C102H83ClN16S7
• Molecular Weight: 1792.82 g/mol
• Exact Mass: 1790.47
• IUPAC Name: 4-[2-[5-(3-chlorophenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;N-cyclobutyl-5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]pyridin-2-amine;4-[2-[6-(2,5-dimethylphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;4-[2-(6-indol-1-yl-3-pyridinyl)ethynyl]-2-methyl-1,3-thiazole;2-methyl-4-[2-[5-(pyridin-3-ylmethyl)-3-pyridinyl]ethynyl]-1,3-thiazole;4-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]-2-pyridinyl]thiomorpholine
• SMILES: Cc1ccc(C)c(-c2ccc(C#Cc3csc(C)n3)cn2)c1.Cc1nc(C#Cc2ccc(-n3ccc4ccccc43)nc2)cs1.Cc1nc(C#Cc2ccc(N3CCSCC3)nc2)cs1.Cc1nc(C#Cc2ccc(NC3CCC3)nc2)cs1.Cc1nc(C#Cc2cncc(-c3cccc(Cl)c3)c2)cs1.Cc1nc(C#Cc2cncc(Cc3cccnc3)c2)cs1
• InChI: InChI=1S/C19H13N3S.C19H16N2S.C17H11ClN2S.C17H13N3S.C15H15N3S2.C15H15N3S/c1-14-21-17(13-23-14)8-6-15-7-9-19(20-12-15)22-11-10-16-4-2-3-5-18(16)22;1-13-4-5-14(2)18(10-13)19-9-7-16(11-20-19)6-8-17-12-22-15(3)21-17;1-12-20-17(11-21-12)6-5-13-7-15(10-19-9-13)14-3-2-4-16(18)8-14;1-13-20-17(12-21-13)5-4-15-8-16(11-19-10-15)7-14-3-2-6-18-9-14;1-12-17-14(11-20-12)4-2-13-3-5-15(16-10-13)18-6-8-19-9-7-18;1-11-17-14(10-19-11)7-5-12-6-8-15(16-9-12)18-13-3-2-4-13/h2-5,7,9-13H,1H3;4-5,7,9-12H,1-3H3;2-4,7-11H,1H3;2-3,6,8-12H,7H2,1H3;3,5,10-11H,6-9H2,1H3;6,8-10,13H,2-4H2,1H3,(H,16,18)
• InChIKey: RDQYQCICXPDERL-UHFFFAOYSA-N
• XLogP: 22.53
• TPSA: 187.77 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 23
• Rotatable Bonds: 8
• Heavy Atoms: 126
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1792.82
LogP ≤ 5	22.53
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[2-[5-(3-chlorophenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;N-cyclobutyl-5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]pyridin-2-amine;4-[2-[6-(2,5-dimethylphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;4-[2-(6-indol-1-yl-3-pyridinyl)ethynyl]-2-methyl-1,3-thiazole;2-methyl-4-[2-[5-(pyridin-3-ylmethyl)-3-pyridinyl]ethynyl]-1,3-thiazole;4-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]-2-pyridinyl]thiomorpholine?

The IUPAC name of 4-[2-[5-(3-chlorophenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;N-cyclobutyl-5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]pyridin-2-amine;4-[2-[6-(2,5-dimethylphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;4-[2-(6-indol-1-yl-3-pyridinyl)ethynyl]-2-methyl-1,3-thiazole;2-methyl-4-[2-[5-(pyridin-3-ylmethyl)-3-pyridinyl]ethynyl]-1,3-thiazole;4-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]-2-pyridinyl]thiomorpholine (CID 160596207) is 4-[2-[5-(3-chlorophenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;N-cyclobutyl-5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]pyridin-2-amine;4-[2-[6-(2,5-dimethylphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;4-[2-(6-indol-1-yl-3-pyridinyl)ethynyl]-2-methyl-1,3-thiazole;2-methyl-4-[2-[5-(pyridin-3-ylmethyl)-3-pyridinyl]ethynyl]-1,3-thiazole;4-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]-2-pyridinyl]thiomorpholine.

What is the SMILES notation for 4-[2-[5-(3-chlorophenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;N-cyclobutyl-5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]pyridin-2-amine;4-[2-[6-(2,5-dimethylphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;4-[2-(6-indol-1-yl-3-pyridinyl)ethynyl]-2-methyl-1,3-thiazole;2-methyl-4-[2-[5-(pyridin-3-ylmethyl)-3-pyridinyl]ethynyl]-1,3-thiazole;4-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]-2-pyridinyl]thiomorpholine?

The canonical SMILES for 4-[2-[5-(3-chlorophenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;N-cyclobutyl-5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]pyridin-2-amine;4-[2-[6-(2,5-dimethylphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;4-[2-(6-indol-1-yl-3-pyridinyl)ethynyl]-2-methyl-1,3-thiazole;2-methyl-4-[2-[5-(pyridin-3-ylmethyl)-3-pyridinyl]ethynyl]-1,3-thiazole;4-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]-2-pyridinyl]thiomorpholine is Cc1ccc(C)c(-c2ccc(C#Cc3csc(C)n3)cn2)c1.Cc1nc(C#Cc2ccc(-n3ccc4ccccc43)nc2)cs1.Cc1nc(C#Cc2ccc(N3CCSCC3)nc2)cs1.Cc1nc(C#Cc2ccc(NC3CCC3)nc2)cs1.Cc1nc(C#Cc2cncc(-c3cccc(Cl)c3)c2)cs1.Cc1nc(C#Cc2cncc(Cc3cccnc3)c2)cs1.

What is the InChIKey of 4-[2-[5-(3-chlorophenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;N-cyclobutyl-5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]pyridin-2-amine;4-[2-[6-(2,5-dimethylphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;4-[2-(6-indol-1-yl-3-pyridinyl)ethynyl]-2-methyl-1,3-thiazole;2-methyl-4-[2-[5-(pyridin-3-ylmethyl)-3-pyridinyl]ethynyl]-1,3-thiazole;4-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]-2-pyridinyl]thiomorpholine?

The InChIKey is RDQYQCICXPDERL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N3S.C19H16N2S.C17H11ClN2S.C17H13N3S.C15H15N3S2.C15H15N3S/c1-14-21-17(13-23-14)8-6-15-7-9-19(20-12-15)22-11-10-16-4-2-3-5-18(16)22;1-13-4-5-14(2)18(10-13)19-9-7-16(11-20-19)6-8-17-12-22-15(3)21-17;1-12-20-17(11-21-12)6-5-13-7-15(10-19-9-13)14-3-2-4-16(18)8-14;1-13-20-17(12-21-13)5-4-15-8-16(11-19-10-15)7-14-3-2-6-18-9-14;1-12-17-14(11-20-12)4-2-13-3-5-15(16-10-13)18-6-8-19-9-7-18;1-11-17-14(10-19-11)7-5-12-6-8-15(16-9-12)18-13-3-2-4-13/h2-5,7,9-13H,1H3;4-5,7,9-12H,1-3H3;2-4,7-11H,1H3;2-3,6,8-12H,7H2,1H3;3,5,10-11H,6-9H2,1H3;6,8-10,13H,2-4H2,1H3,(H,16,18).

What are the key properties of 4-[2-[5-(3-chlorophenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;N-cyclobutyl-5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]pyridin-2-amine;4-[2-[6-(2,5-dimethylphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;4-[2-(6-indol-1-yl-3-pyridinyl)ethynyl]-2-methyl-1,3-thiazole;2-methyl-4-[2-[5-(pyridin-3-ylmethyl)-3-pyridinyl]ethynyl]-1,3-thiazole;4-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]-2-pyridinyl]thiomorpholine?

4-[2-[5-(3-chlorophenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;N-cyclobutyl-5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]pyridin-2-amine;4-[2-[6-(2,5-dimethylphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;4-[2-(6-indol-1-yl-3-pyridinyl)ethynyl]-2-methyl-1,3-thiazole;2-methyl-4-[2-[5-(pyridin-3-ylmethyl)-3-pyridinyl]ethynyl]-1,3-thiazole;4-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]-2-pyridinyl]thiomorpholine has a molecular weight of 1792.82 g/mol, XLogP of 22.53, 8 rotatable bonds, 1 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-[5-(3-chlorophenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;N-cyclobutyl-5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]pyridin-2-amine;4-[2-[6-(2,5-dimethylphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;4-[2-(6-indol-1-yl-3-pyridinyl)ethynyl]-2-methyl-1,3-thiazole;2-methyl-4-[2-[5-(pyridin-3-ylmethyl)-3-pyridinyl]ethynyl]-1,3-thiazole;4-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]-2-pyridinyl]thiomorpholine is sourced from PubChem (CID 160596207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).