1-[4-(1-acetylazetidin-3-yl)oxy-6-methyl-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;2-(5-fluoro-4-methyl-1,3-thiazol-2-yl)-1-[6-methyl-4-[(3R,5R)-5-methyloxolan-3-yl]oxy-2-pyridinyl]ethanone;3-methyl-1-[3-[[2-methyl-6-[2-(4-methyl-1,3-thiazol-2-yl)acetyl]-4-pyridinyl]oxy]azetidin-1-yl]butan-1-one;1-[6-methyl-4-(1-oxothietan-3-yl)oxy-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;2-(4-methyl-1,3-thiazol-2-yl)-1-[6-methyl-4-(thietan-3-yloxy)-2-pyridinyl]ethanone

C84H95FN12O14S7 — CID 158002161

About 1-[4-(1-acetylazetidin-3-yl)oxy-6-methyl-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;2-(5-fluoro-4-methyl-1,3-thiazol-2-yl)-1-[6-methyl-4-[(3R,5R)-5-methyloxolan-3-yl]oxy-2-pyridinyl]ethanone;3-methyl-1-[3-[[2-methyl-6-[2-(4-methyl-1,3-thiazol-2-yl)acetyl]-4-pyridinyl]oxy]azetidin-1-yl]butan-1-one;1-[6-methyl-4-(1-oxothietan-3-yl)oxy-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;2-(4-methyl-1,3-thiazol-2-yl)-1-[6-methyl-4-(thietan-3-yloxy)-2-pyridinyl]ethanone

1-[4-(1-acetylazetidin-3-yl)oxy-6-methyl-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;2-(5-fluoro-4-methyl-1,3-thiazol-2-yl)-1-[6-methyl-4-[(3R,5R)-5-methyloxolan-3-yl]oxy-2-pyridinyl]ethanone;3-methyl-1-[3-[[2-methyl-6-[2-(4-methyl-1,3-thiazol-2-yl)acetyl]-4-pyridinyl]oxy]azetidin-1-yl]butan-1-one;1-[6-methyl-4-(1-oxothietan-3-yl)oxy-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;2-(4-methyl-1,3-thiazol-2-yl)-1-[6-methyl-4-(thietan-3-yloxy)-2-pyridinyl]ethanone (PubChem CID 158002161) has the molecular formula C84H95FN12O14S7 and a molecular weight of 1740.22 g/mol. Its IUPAC name is 1-[4-(1-acetylazetidin-3-yl)oxy-6-methyl-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;2-(5-fluoro-4-methyl-1,3-thiazol-2-yl)-1-[6-methyl-4-[(3R,5R)-5-methyloxolan-3-yl]oxy-2-pyridinyl]ethanone;3-methyl-1-[3-[[2-methyl-6-[2-(4-methyl-1,3-thiazol-2-yl)acetyl]-4-pyridinyl]oxy]azetidin-1-yl]butan-1-one;1-[6-methyl-4-(1-oxothietan-3-yl)oxy-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;2-(4-methyl-1,3-thiazol-2-yl)-1-[6-methyl-4-(thietan-3-yloxy)-2-pyridinyl]ethanone.

Molecular Properties

• Compound Name: 1-[4-(1-acetylazetidin-3-yl)oxy-6-methyl-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;2-(5-fluoro-4-methyl-1,3-thiazol-2-yl)-1-[6-methyl-4-[(3R,5R)-5-methyloxolan-3-yl]oxy-2-pyridinyl]ethanone;3-methyl-1-[3-[[2-methyl-6-[2-(4-methyl-1,3-thiazol-2-yl)acetyl]-4-pyridinyl]oxy]azetidin-1-yl]butan-1-one;1-[6-methyl-4-(1-oxothietan-3-yl)oxy-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;2-(4-methyl-1,3-thiazol-2-yl)-1-[6-methyl-4-(thietan-3-yloxy)-2-pyridinyl]ethanone
• PubChem CID: 158002161
• Molecular Formula: C84H95FN12O14S7
• Molecular Weight: 1740.22 g/mol
• Exact Mass: 1738.51
• IUPAC Name: 1-[4-(1-acetylazetidin-3-yl)oxy-6-methyl-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;2-(5-fluoro-4-methyl-1,3-thiazol-2-yl)-1-[6-methyl-4-[(3R,5R)-5-methyloxolan-3-yl]oxy-2-pyridinyl]ethanone;3-methyl-1-[3-[[2-methyl-6-[2-(4-methyl-1,3-thiazol-2-yl)acetyl]-4-pyridinyl]oxy]azetidin-1-yl]butan-1-one;1-[6-methyl-4-(1-oxothietan-3-yl)oxy-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;2-(4-methyl-1,3-thiazol-2-yl)-1-[6-methyl-4-(thietan-3-yloxy)-2-pyridinyl]ethanone
• SMILES: CC(=O)N1CC(Oc2cc(C)nc(C(=O)Cc3nc(C)cs3)c2)C1.Cc1cc(OC2CN(C(=O)CC(C)C)C2)cc(C(=O)Cc2nc(C)cs2)n1.Cc1cc(OC2CS(=O)C2)cc(C(=O)Cc2nc(C)cs2)n1.Cc1cc(OC2CSC2)cc(C(=O)Cc2nc(C)cs2)n1.Cc1cc(O[C@H]2CO[C@H](C)C2)cc(C(=O)Cc2nc(C)c(F)s2)n1
• InChI: InChI=1S/C20H25N3O3S.C17H19FN2O3S.C17H19N3O3S.C15H16N2O3S2.C15H16N2O2S2/c1-12(2)5-20(25)23-9-16(10-23)26-15-6-13(3)21-17(7-15)18(24)8-19-22-14(4)11-27-19;1-9-4-12(23-13-5-10(2)22-8-13)6-14(19-9)15(21)7-16-20-11(3)17(18)24-16;1-10-4-13(23-14-7-20(8-14)12(3)21)5-15(18-10)16(22)6-17-19-11(2)9-24-17;1-9-3-11(20-12-7-22(19)8-12)4-13(16-9)14(18)5-15-17-10(2)6-21-15;1-9-3-11(19-12-7-20-8-12)4-13(16-9)14(18)5-15-17-10(2)6-21-15/h6-7,11-12,16H,5,8-10H2,1-4H3;4,6,10,13H,5,7-8H2,1-3H3;4-5,9,14H,6-8H2,1-3H3;3-4,6,12H,5,7-8H2,1-2H3;3-4,6,12H,5,7-8H2,1-2H3/t;10-,13-;;;/m.1.../s1
• InChIKey: FDWCAAYDOGSJON-CRYVVXJESA-N
• XLogP: 13.85
• TPSA: 327.32 Ų
• H-Bond Acceptors: 30
• Rotatable Bonds: 27
• Heavy Atoms: 118
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1740.22
LogP ≤ 5	13.85
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-acetylazetidin-3-yl)oxy-6-methyl-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;2-(5-fluoro-4-methyl-1,3-thiazol-2-yl)-1-[6-methyl-4-[(3R,5R)-5-methyloxolan-3-yl]oxy-2-pyridinyl]ethanone;3-methyl-1-[3-[[2-methyl-6-[2-(4-methyl-1,3-thiazol-2-yl)acetyl]-4-pyridinyl]oxy]azetidin-1-yl]butan-1-one;1-[6-methyl-4-(1-oxothietan-3-yl)oxy-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;2-(4-methyl-1,3-thiazol-2-yl)-1-[6-methyl-4-(thietan-3-yloxy)-2-pyridinyl]ethanone?

The IUPAC name of 1-[4-(1-acetylazetidin-3-yl)oxy-6-methyl-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;2-(5-fluoro-4-methyl-1,3-thiazol-2-yl)-1-[6-methyl-4-[(3R,5R)-5-methyloxolan-3-yl]oxy-2-pyridinyl]ethanone;3-methyl-1-[3-[[2-methyl-6-[2-(4-methyl-1,3-thiazol-2-yl)acetyl]-4-pyridinyl]oxy]azetidin-1-yl]butan-1-one;1-[6-methyl-4-(1-oxothietan-3-yl)oxy-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;2-(4-methyl-1,3-thiazol-2-yl)-1-[6-methyl-4-(thietan-3-yloxy)-2-pyridinyl]ethanone (CID 158002161) is 1-[4-(1-acetylazetidin-3-yl)oxy-6-methyl-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;2-(5-fluoro-4-methyl-1,3-thiazol-2-yl)-1-[6-methyl-4-[(3R,5R)-5-methyloxolan-3-yl]oxy-2-pyridinyl]ethanone;3-methyl-1-[3-[[2-methyl-6-[2-(4-methyl-1,3-thiazol-2-yl)acetyl]-4-pyridinyl]oxy]azetidin-1-yl]butan-1-one;1-[6-methyl-4-(1-oxothietan-3-yl)oxy-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;2-(4-methyl-1,3-thiazol-2-yl)-1-[6-methyl-4-(thietan-3-yloxy)-2-pyridinyl]ethanone.

What is the SMILES notation for 1-[4-(1-acetylazetidin-3-yl)oxy-6-methyl-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;2-(5-fluoro-4-methyl-1,3-thiazol-2-yl)-1-[6-methyl-4-[(3R,5R)-5-methyloxolan-3-yl]oxy-2-pyridinyl]ethanone;3-methyl-1-[3-[[2-methyl-6-[2-(4-methyl-1,3-thiazol-2-yl)acetyl]-4-pyridinyl]oxy]azetidin-1-yl]butan-1-one;1-[6-methyl-4-(1-oxothietan-3-yl)oxy-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;2-(4-methyl-1,3-thiazol-2-yl)-1-[6-methyl-4-(thietan-3-yloxy)-2-pyridinyl]ethanone?

The canonical SMILES for 1-[4-(1-acetylazetidin-3-yl)oxy-6-methyl-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;2-(5-fluoro-4-methyl-1,3-thiazol-2-yl)-1-[6-methyl-4-[(3R,5R)-5-methyloxolan-3-yl]oxy-2-pyridinyl]ethanone;3-methyl-1-[3-[[2-methyl-6-[2-(4-methyl-1,3-thiazol-2-yl)acetyl]-4-pyridinyl]oxy]azetidin-1-yl]butan-1-one;1-[6-methyl-4-(1-oxothietan-3-yl)oxy-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;2-(4-methyl-1,3-thiazol-2-yl)-1-[6-methyl-4-(thietan-3-yloxy)-2-pyridinyl]ethanone is CC(=O)N1CC(Oc2cc(C)nc(C(=O)Cc3nc(C)cs3)c2)C1.Cc1cc(OC2CN(C(=O)CC(C)C)C2)cc(C(=O)Cc2nc(C)cs2)n1.Cc1cc(OC2CS(=O)C2)cc(C(=O)Cc2nc(C)cs2)n1.Cc1cc(OC2CSC2)cc(C(=O)Cc2nc(C)cs2)n1.Cc1cc(O[C@H]2CO[C@H](C)C2)cc(C(=O)Cc2nc(C)c(F)s2)n1.

What is the InChIKey of 1-[4-(1-acetylazetidin-3-yl)oxy-6-methyl-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;2-(5-fluoro-4-methyl-1,3-thiazol-2-yl)-1-[6-methyl-4-[(3R,5R)-5-methyloxolan-3-yl]oxy-2-pyridinyl]ethanone;3-methyl-1-[3-[[2-methyl-6-[2-(4-methyl-1,3-thiazol-2-yl)acetyl]-4-pyridinyl]oxy]azetidin-1-yl]butan-1-one;1-[6-methyl-4-(1-oxothietan-3-yl)oxy-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;2-(4-methyl-1,3-thiazol-2-yl)-1-[6-methyl-4-(thietan-3-yloxy)-2-pyridinyl]ethanone?

The InChIKey is FDWCAAYDOGSJON-CRYVVXJESA-N. The full InChI is InChI=1S/C20H25N3O3S.C17H19FN2O3S.C17H19N3O3S.C15H16N2O3S2.C15H16N2O2S2/c1-12(2)5-20(25)23-9-16(10-23)26-15-6-13(3)21-17(7-15)18(24)8-19-22-14(4)11-27-19;1-9-4-12(23-13-5-10(2)22-8-13)6-14(19-9)15(21)7-16-20-11(3)17(18)24-16;1-10-4-13(23-14-7-20(8-14)12(3)21)5-15(18-10)16(22)6-17-19-11(2)9-24-17;1-9-3-11(20-12-7-22(19)8-12)4-13(16-9)14(18)5-15-17-10(2)6-21-15;1-9-3-11(19-12-7-20-8-12)4-13(16-9)14(18)5-15-17-10(2)6-21-15/h6-7,11-12,16H,5,8-10H2,1-4H3;4,6,10,13H,5,7-8H2,1-3H3;4-5,9,14H,6-8H2,1-3H3;3-4,6,12H,5,7-8H2,1-2H3;3-4,6,12H,5,7-8H2,1-2H3/t;10-,13-;;;/m.1.../s1.

What are the key properties of 1-[4-(1-acetylazetidin-3-yl)oxy-6-methyl-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;2-(5-fluoro-4-methyl-1,3-thiazol-2-yl)-1-[6-methyl-4-[(3R,5R)-5-methyloxolan-3-yl]oxy-2-pyridinyl]ethanone;3-methyl-1-[3-[[2-methyl-6-[2-(4-methyl-1,3-thiazol-2-yl)acetyl]-4-pyridinyl]oxy]azetidin-1-yl]butan-1-one;1-[6-methyl-4-(1-oxothietan-3-yl)oxy-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;2-(4-methyl-1,3-thiazol-2-yl)-1-[6-methyl-4-(thietan-3-yloxy)-2-pyridinyl]ethanone?

1-[4-(1-acetylazetidin-3-yl)oxy-6-methyl-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;2-(5-fluoro-4-methyl-1,3-thiazol-2-yl)-1-[6-methyl-4-[(3R,5R)-5-methyloxolan-3-yl]oxy-2-pyridinyl]ethanone;3-methyl-1-[3-[[2-methyl-6-[2-(4-methyl-1,3-thiazol-2-yl)acetyl]-4-pyridinyl]oxy]azetidin-1-yl]butan-1-one;1-[6-methyl-4-(1-oxothietan-3-yl)oxy-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;2-(4-methyl-1,3-thiazol-2-yl)-1-[6-methyl-4-(thietan-3-yloxy)-2-pyridinyl]ethanone has a molecular weight of 1740.22 g/mol, XLogP of 13.85, 27 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-(1-acetylazetidin-3-yl)oxy-6-methyl-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;2-(5-fluoro-4-methyl-1,3-thiazol-2-yl)-1-[6-methyl-4-[(3R,5R)-5-methyloxolan-3-yl]oxy-2-pyridinyl]ethanone;3-methyl-1-[3-[[2-methyl-6-[2-(4-methyl-1,3-thiazol-2-yl)acetyl]-4-pyridinyl]oxy]azetidin-1-yl]butan-1-one;1-[6-methyl-4-(1-oxothietan-3-yl)oxy-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;2-(4-methyl-1,3-thiazol-2-yl)-1-[6-methyl-4-(thietan-3-yloxy)-2-pyridinyl]ethanone is sourced from PubChem (CID 158002161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).