2-[5-[5-ethyl-2-(2-methyl-3-pyridinyl)-1,3-thiazol-4-yl]-2-pyridinyl]-1-(3-fluoro-2-methylphenyl)ethanone;1-(3-fluoro-2-methylphenyl)-2-[5-(5-methyl-2-pyrazin-2-yl-1,3-thiazol-4-yl)-2-pyridinyl]ethanone

C47H39F2N7O2S2 — CID 160918519

About 2-[5-[5-ethyl-2-(2-methyl-3-pyridinyl)-1,3-thiazol-4-yl]-2-pyridinyl]-1-(3-fluoro-2-methylphenyl)ethanone;1-(3-fluoro-2-methylphenyl)-2-[5-(5-methyl-2-pyrazin-2-yl-1,3-thiazol-4-yl)-2-pyridinyl]ethanone

2-[5-[5-ethyl-2-(2-methyl-3-pyridinyl)-1,3-thiazol-4-yl]-2-pyridinyl]-1-(3-fluoro-2-methylphenyl)ethanone;1-(3-fluoro-2-methylphenyl)-2-[5-(5-methyl-2-pyrazin-2-yl-1,3-thiazol-4-yl)-2-pyridinyl]ethanone (PubChem CID 160918519) has the molecular formula C47H39F2N7O2S2 and a molecular weight of 836.01 g/mol. Its IUPAC name is 2-[5-[5-ethyl-2-(2-methyl-3-pyridinyl)-1,3-thiazol-4-yl]-2-pyridinyl]-1-(3-fluoro-2-methylphenyl)ethanone;1-(3-fluoro-2-methylphenyl)-2-[5-(5-methyl-2-pyrazin-2-yl-1,3-thiazol-4-yl)-2-pyridinyl]ethanone.

Molecular Properties

• Compound Name: 2-[5-[5-ethyl-2-(2-methyl-3-pyridinyl)-1,3-thiazol-4-yl]-2-pyridinyl]-1-(3-fluoro-2-methylphenyl)ethanone;1-(3-fluoro-2-methylphenyl)-2-[5-(5-methyl-2-pyrazin-2-yl-1,3-thiazol-4-yl)-2-pyridinyl]ethanone
• PubChem CID: 160918519
• Molecular Formula: C47H39F2N7O2S2
• Molecular Weight: 836.01 g/mol
• Exact Mass: 835.26
• IUPAC Name: 2-[5-[5-ethyl-2-(2-methyl-3-pyridinyl)-1,3-thiazol-4-yl]-2-pyridinyl]-1-(3-fluoro-2-methylphenyl)ethanone;1-(3-fluoro-2-methylphenyl)-2-[5-(5-methyl-2-pyrazin-2-yl-1,3-thiazol-4-yl)-2-pyridinyl]ethanone
• SMILES: CCc1sc(-c2cccnc2C)nc1-c1ccc(CC(=O)c2cccc(F)c2C)nc1.Cc1sc(-c2cnccn2)nc1-c1ccc(CC(=O)c2cccc(F)c2C)nc1
• InChI: InChI=1S/C25H22FN3OS.C22H17FN4OS/c1-4-23-24(29-25(31-23)20-8-6-12-27-16(20)3)17-10-11-18(28-14-17)13-22(30)19-7-5-9-21(26)15(19)2;1-13-17(4-3-5-18(13)23)20(28)10-16-7-6-15(11-26-16)21-14(2)29-22(27-21)19-12-24-8-9-25-19/h5-12,14H,4,13H2,1-3H3;3-9,11-12H,10H2,1-2H3
• InChIKey: SRSLUWQYYUBPFQ-UHFFFAOYSA-N
• XLogP: 10.85
• TPSA: 124.37 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 11
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	836.01
LogP ≤ 5	10.85
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 2-[5-[5-ethyl-2-(2-methyl-3-pyridinyl)-1,3-thiazol-4-yl]-2-pyridinyl]-1-(3-fluoro-2-methylphenyl)ethanone;1-(3-fluoro-2-methylphenyl)-2-[5-(5-methyl-2-pyrazin-2-yl-1,3-thiazol-4-yl)-2-pyridinyl]ethanone?

The IUPAC name of 2-[5-[5-ethyl-2-(2-methyl-3-pyridinyl)-1,3-thiazol-4-yl]-2-pyridinyl]-1-(3-fluoro-2-methylphenyl)ethanone;1-(3-fluoro-2-methylphenyl)-2-[5-(5-methyl-2-pyrazin-2-yl-1,3-thiazol-4-yl)-2-pyridinyl]ethanone (CID 160918519) is 2-[5-[5-ethyl-2-(2-methyl-3-pyridinyl)-1,3-thiazol-4-yl]-2-pyridinyl]-1-(3-fluoro-2-methylphenyl)ethanone;1-(3-fluoro-2-methylphenyl)-2-[5-(5-methyl-2-pyrazin-2-yl-1,3-thiazol-4-yl)-2-pyridinyl]ethanone.

What is the SMILES notation for 2-[5-[5-ethyl-2-(2-methyl-3-pyridinyl)-1,3-thiazol-4-yl]-2-pyridinyl]-1-(3-fluoro-2-methylphenyl)ethanone;1-(3-fluoro-2-methylphenyl)-2-[5-(5-methyl-2-pyrazin-2-yl-1,3-thiazol-4-yl)-2-pyridinyl]ethanone?

The canonical SMILES for 2-[5-[5-ethyl-2-(2-methyl-3-pyridinyl)-1,3-thiazol-4-yl]-2-pyridinyl]-1-(3-fluoro-2-methylphenyl)ethanone;1-(3-fluoro-2-methylphenyl)-2-[5-(5-methyl-2-pyrazin-2-yl-1,3-thiazol-4-yl)-2-pyridinyl]ethanone is CCc1sc(-c2cccnc2C)nc1-c1ccc(CC(=O)c2cccc(F)c2C)nc1.Cc1sc(-c2cnccn2)nc1-c1ccc(CC(=O)c2cccc(F)c2C)nc1.

What is the InChIKey of 2-[5-[5-ethyl-2-(2-methyl-3-pyridinyl)-1,3-thiazol-4-yl]-2-pyridinyl]-1-(3-fluoro-2-methylphenyl)ethanone;1-(3-fluoro-2-methylphenyl)-2-[5-(5-methyl-2-pyrazin-2-yl-1,3-thiazol-4-yl)-2-pyridinyl]ethanone?

The InChIKey is SRSLUWQYYUBPFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22FN3OS.C22H17FN4OS/c1-4-23-24(29-25(31-23)20-8-6-12-27-16(20)3)17-10-11-18(28-14-17)13-22(30)19-7-5-9-21(26)15(19)2;1-13-17(4-3-5-18(13)23)20(28)10-16-7-6-15(11-26-16)21-14(2)29-22(27-21)19-12-24-8-9-25-19/h5-12,14H,4,13H2,1-3H3;3-9,11-12H,10H2,1-2H3.

What are the key properties of 2-[5-[5-ethyl-2-(2-methyl-3-pyridinyl)-1,3-thiazol-4-yl]-2-pyridinyl]-1-(3-fluoro-2-methylphenyl)ethanone;1-(3-fluoro-2-methylphenyl)-2-[5-(5-methyl-2-pyrazin-2-yl-1,3-thiazol-4-yl)-2-pyridinyl]ethanone?

2-[5-[5-ethyl-2-(2-methyl-3-pyridinyl)-1,3-thiazol-4-yl]-2-pyridinyl]-1-(3-fluoro-2-methylphenyl)ethanone;1-(3-fluoro-2-methylphenyl)-2-[5-(5-methyl-2-pyrazin-2-yl-1,3-thiazol-4-yl)-2-pyridinyl]ethanone has a molecular weight of 836.01 g/mol, XLogP of 10.85, 11 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-[5-ethyl-2-(2-methyl-3-pyridinyl)-1,3-thiazol-4-yl]-2-pyridinyl]-1-(3-fluoro-2-methylphenyl)ethanone;1-(3-fluoro-2-methylphenyl)-2-[5-(5-methyl-2-pyrazin-2-yl-1,3-thiazol-4-yl)-2-pyridinyl]ethanone is sourced from PubChem (CID 160918519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).