3-[[4-[4-[2-(4-fluoro-4-methylpiperidin-1-yl)ethoxy]phenyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;4-methoxy-2-methyl-5-[[4-[4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]-1,3-thiazol-2-yl]amino]benzamide;4-methyl-3-[[4-[4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]-1,3-thiazol-2-yl]amino]benzamide;7-[[4-[4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]-1,3-thiazol-2-yl]amino]-2,3-dihydro-1-benzofuran-5-sulfonamide;3-[[4-[4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]-1,3-thiazol-2-yl]amino]-4-(2-methylpropyl)benzamide

C131H161FN20O14S6 — CID 158869545

About 3-[[4-[4-[2-(4-fluoro-4-methylpiperidin-1-yl)ethoxy]phenyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;4-methoxy-2-methyl-5-[[4-[4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]-1,3-thiazol-2-yl]amino]benzamide;4-methyl-3-[[4-[4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]-1,3-thiazol-2-yl]amino]benzamide;7-[[4-[4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]-1,3-thiazol-2-yl]amino]-2,3-dihydro-1-benzofuran-5-sulfonamide;3-[[4-[4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]-1,3-thiazol-2-yl]amino]-4-(2-methylpropyl)benzamide

3-[[4-[4-[2-(4-fluoro-4-methylpiperidin-1-yl)ethoxy]phenyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;4-methoxy-2-methyl-5-[[4-[4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]-1,3-thiazol-2-yl]amino]benzamide;4-methyl-3-[[4-[4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]-1,3-thiazol-2-yl]amino]benzamide;7-[[4-[4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]-1,3-thiazol-2-yl]amino]-2,3-dihydro-1-benzofuran-5-sulfonamide;3-[[4-[4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]-1,3-thiazol-2-yl]amino]-4-(2-methylpropyl)benzamide (PubChem CID 158869545) has the molecular formula C131H161FN20O14S6 and a molecular weight of 2451.25 g/mol. Its IUPAC name is 3-[[4-[4-[2-(4-fluoro-4-methylpiperidin-1-yl)ethoxy]phenyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;4-methoxy-2-methyl-5-[[4-[4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]-1,3-thiazol-2-yl]amino]benzamide;4-methyl-3-[[4-[4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]-1,3-thiazol-2-yl]amino]benzamide;7-[[4-[4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]-1,3-thiazol-2-yl]amino]-2,3-dihydro-1-benzofuran-5-sulfonamide;3-[[4-[4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]-1,3-thiazol-2-yl]amino]-4-(2-methylpropyl)benzamide.

Molecular Properties

• Compound Name: 3-[[4-[4-[2-(4-fluoro-4-methylpiperidin-1-yl)ethoxy]phenyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;4-methoxy-2-methyl-5-[[4-[4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]-1,3-thiazol-2-yl]amino]benzamide;4-methyl-3-[[4-[4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]-1,3-thiazol-2-yl]amino]benzamide;7-[[4-[4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]-1,3-thiazol-2-yl]amino]-2,3-dihydro-1-benzofuran-5-sulfonamide;3-[[4-[4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]-1,3-thiazol-2-yl]amino]-4-(2-methylpropyl)benzamide
• PubChem CID: 158869545
• Molecular Formula: C131H161FN20O14S6
• Molecular Weight: 2451.25 g/mol
• Exact Mass: 2449.08
• IUPAC Name: 3-[[4-[4-[2-(4-fluoro-4-methylpiperidin-1-yl)ethoxy]phenyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;4-methoxy-2-methyl-5-[[4-[4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]-1,3-thiazol-2-yl]amino]benzamide;4-methyl-3-[[4-[4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]-1,3-thiazol-2-yl]amino]benzamide;7-[[4-[4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]-1,3-thiazol-2-yl]amino]-2,3-dihydro-1-benzofuran-5-sulfonamide;3-[[4-[4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]-1,3-thiazol-2-yl]amino]-4-(2-methylpropyl)benzamide
• SMILES: CC(C)Cc1ccc(C(N)=O)cc1Nc1nc(-c2ccc(OCCN3CCC(C)CC3)cc2)cs1.CC(C)Oc1ccc(C(N)=O)cc1Nc1nc(-c2ccc(OCCN3CCC(C)(F)CC3)cc2)cs1.CC1CCN(CCOc2ccc(-c3csc(Nc4cc(S(N)(=O)=O)cc5c4OCC5)n3)cc2)CC1.COc1cc(C)c(C(N)=O)cc1Nc1nc(-c2ccc(OCCN3CCC(C)CC3)cc2)cs1.Cc1ccc(C(N)=O)cc1Nc1nc(-c2ccc(OCCN3CCC(C)CC3)cc2)cs1
• InChI: InChI=1S/C28H36N4O2S.C27H33FN4O3S.C26H32N4O3S.C25H30N4O4S2.C25H30N4O2S/c1-19(2)16-22-4-5-23(27(29)33)17-25(22)30-28-31-26(18-35-28)21-6-8-24(9-7-21)34-15-14-32-12-10-20(3)11-13-32;1-18(2)35-24-9-6-20(25(29)33)16-22(24)30-26-31-23(17-36-26)19-4-7-21(8-5-19)34-15-14-32-12-10-27(3,28)11-13-32;1-17-8-10-30(11-9-17)12-13-33-20-6-4-19(5-7-20)23-16-34-26(29-23)28-22-15-21(25(27)31)18(2)14-24(22)32-3;1-17-6-9-29(10-7-17)11-13-32-20-4-2-18(3-5-20)23-16-34-25(28-23)27-22-15-21(35(26,30)31)14-19-8-12-33-24(19)22;1-17-9-11-29(12-10-17)13-14-31-21-7-5-19(6-8-21)23-16-32-25(28-23)27-22-15-20(24(26)30)4-3-18(22)2/h4-9,17-20H,10-16H2,1-3H3,(H2,29,33)(H,30,31);4-9,16-18H,10-15H2,1-3H3,(H2,29,33)(H,30,31);4-7,14-17H,8-13H2,1-3H3,(H2,27,31)(H,28,29);2-5,14-17H,6-13H2,1H3,(H,27,28)(H2,26,30,31);3-8,15-17H,9-14H2,1-2H3,(H2,26,30)(H,27,28)
• InChIKey: JBQZVMPHGPHXCO-UHFFFAOYSA-N
• XLogP: 26.00
• TPSA: 447.16 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 34
• Rotatable Bonds: 45
• Heavy Atoms: 172
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2451.25
LogP ≤ 5	26.00
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	34

Frequently Asked Questions

What is the IUPAC name of 3-[[4-[4-[2-(4-fluoro-4-methylpiperidin-1-yl)ethoxy]phenyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;4-methoxy-2-methyl-5-[[4-[4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]-1,3-thiazol-2-yl]amino]benzamide;4-methyl-3-[[4-[4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]-1,3-thiazol-2-yl]amino]benzamide;7-[[4-[4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]-1,3-thiazol-2-yl]amino]-2,3-dihydro-1-benzofuran-5-sulfonamide;3-[[4-[4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]-1,3-thiazol-2-yl]amino]-4-(2-methylpropyl)benzamide?

The IUPAC name of 3-[[4-[4-[2-(4-fluoro-4-methylpiperidin-1-yl)ethoxy]phenyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;4-methoxy-2-methyl-5-[[4-[4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]-1,3-thiazol-2-yl]amino]benzamide;4-methyl-3-[[4-[4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]-1,3-thiazol-2-yl]amino]benzamide;7-[[4-[4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]-1,3-thiazol-2-yl]amino]-2,3-dihydro-1-benzofuran-5-sulfonamide;3-[[4-[4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]-1,3-thiazol-2-yl]amino]-4-(2-methylpropyl)benzamide (CID 158869545) is 3-[[4-[4-[2-(4-fluoro-4-methylpiperidin-1-yl)ethoxy]phenyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;4-methoxy-2-methyl-5-[[4-[4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]-1,3-thiazol-2-yl]amino]benzamide;4-methyl-3-[[4-[4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]-1,3-thiazol-2-yl]amino]benzamide;7-[[4-[4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]-1,3-thiazol-2-yl]amino]-2,3-dihydro-1-benzofuran-5-sulfonamide;3-[[4-[4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]-1,3-thiazol-2-yl]amino]-4-(2-methylpropyl)benzamide.

What is the SMILES notation for 3-[[4-[4-[2-(4-fluoro-4-methylpiperidin-1-yl)ethoxy]phenyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;4-methoxy-2-methyl-5-[[4-[4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]-1,3-thiazol-2-yl]amino]benzamide;4-methyl-3-[[4-[4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]-1,3-thiazol-2-yl]amino]benzamide;7-[[4-[4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]-1,3-thiazol-2-yl]amino]-2,3-dihydro-1-benzofuran-5-sulfonamide;3-[[4-[4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]-1,3-thiazol-2-yl]amino]-4-(2-methylpropyl)benzamide?

The canonical SMILES for 3-[[4-[4-[2-(4-fluoro-4-methylpiperidin-1-yl)ethoxy]phenyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;4-methoxy-2-methyl-5-[[4-[4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]-1,3-thiazol-2-yl]amino]benzamide;4-methyl-3-[[4-[4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]-1,3-thiazol-2-yl]amino]benzamide;7-[[4-[4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]-1,3-thiazol-2-yl]amino]-2,3-dihydro-1-benzofuran-5-sulfonamide;3-[[4-[4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]-1,3-thiazol-2-yl]amino]-4-(2-methylpropyl)benzamide is CC(C)Cc1ccc(C(N)=O)cc1Nc1nc(-c2ccc(OCCN3CCC(C)CC3)cc2)cs1.CC(C)Oc1ccc(C(N)=O)cc1Nc1nc(-c2ccc(OCCN3CCC(C)(F)CC3)cc2)cs1.CC1CCN(CCOc2ccc(-c3csc(Nc4cc(S(N)(=O)=O)cc5c4OCC5)n3)cc2)CC1.COc1cc(C)c(C(N)=O)cc1Nc1nc(-c2ccc(OCCN3CCC(C)CC3)cc2)cs1.Cc1ccc(C(N)=O)cc1Nc1nc(-c2ccc(OCCN3CCC(C)CC3)cc2)cs1.

What is the InChIKey of 3-[[4-[4-[2-(4-fluoro-4-methylpiperidin-1-yl)ethoxy]phenyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;4-methoxy-2-methyl-5-[[4-[4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]-1,3-thiazol-2-yl]amino]benzamide;4-methyl-3-[[4-[4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]-1,3-thiazol-2-yl]amino]benzamide;7-[[4-[4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]-1,3-thiazol-2-yl]amino]-2,3-dihydro-1-benzofuran-5-sulfonamide;3-[[4-[4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]-1,3-thiazol-2-yl]amino]-4-(2-methylpropyl)benzamide?

The InChIKey is JBQZVMPHGPHXCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N4O2S.C27H33FN4O3S.C26H32N4O3S.C25H30N4O4S2.C25H30N4O2S/c1-19(2)16-22-4-5-23(27(29)33)17-25(22)30-28-31-26(18-35-28)21-6-8-24(9-7-21)34-15-14-32-12-10-20(3)11-13-32;1-18(2)35-24-9-6-20(25(29)33)16-22(24)30-26-31-23(17-36-26)19-4-7-21(8-5-19)34-15-14-32-12-10-27(3,28)11-13-32;1-17-8-10-30(11-9-17)12-13-33-20-6-4-19(5-7-20)23-16-34-26(29-23)28-22-15-21(25(27)31)18(2)14-24(22)32-3;1-17-6-9-29(10-7-17)11-13-32-20-4-2-18(3-5-20)23-16-34-25(28-23)27-22-15-21(35(26,30)31)14-19-8-12-33-24(19)22;1-17-9-11-29(12-10-17)13-14-31-21-7-5-19(6-8-21)23-16-32-25(28-23)27-22-15-20(24(26)30)4-3-18(22)2/h4-9,17-20H,10-16H2,1-3H3,(H2,29,33)(H,30,31);4-9,16-18H,10-15H2,1-3H3,(H2,29,33)(H,30,31);4-7,14-17H,8-13H2,1-3H3,(H2,27,31)(H,28,29);2-5,14-17H,6-13H2,1H3,(H,27,28)(H2,26,30,31);3-8,15-17H,9-14H2,1-2H3,(H2,26,30)(H,27,28).

What are the key properties of 3-[[4-[4-[2-(4-fluoro-4-methylpiperidin-1-yl)ethoxy]phenyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;4-methoxy-2-methyl-5-[[4-[4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]-1,3-thiazol-2-yl]amino]benzamide;4-methyl-3-[[4-[4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]-1,3-thiazol-2-yl]amino]benzamide;7-[[4-[4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]-1,3-thiazol-2-yl]amino]-2,3-dihydro-1-benzofuran-5-sulfonamide;3-[[4-[4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]-1,3-thiazol-2-yl]amino]-4-(2-methylpropyl)benzamide?

3-[[4-[4-[2-(4-fluoro-4-methylpiperidin-1-yl)ethoxy]phenyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;4-methoxy-2-methyl-5-[[4-[4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]-1,3-thiazol-2-yl]amino]benzamide;4-methyl-3-[[4-[4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]-1,3-thiazol-2-yl]amino]benzamide;7-[[4-[4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]-1,3-thiazol-2-yl]amino]-2,3-dihydro-1-benzofuran-5-sulfonamide;3-[[4-[4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]-1,3-thiazol-2-yl]amino]-4-(2-methylpropyl)benzamide has a molecular weight of 2451.25 g/mol, XLogP of 26.00, 45 rotatable bonds, 10 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[4-[4-[2-(4-fluoro-4-methylpiperidin-1-yl)ethoxy]phenyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;4-methoxy-2-methyl-5-[[4-[4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]-1,3-thiazol-2-yl]amino]benzamide;4-methyl-3-[[4-[4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]-1,3-thiazol-2-yl]amino]benzamide;7-[[4-[4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]-1,3-thiazol-2-yl]amino]-2,3-dihydro-1-benzofuran-5-sulfonamide;3-[[4-[4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]-1,3-thiazol-2-yl]amino]-4-(2-methylpropyl)benzamide is sourced from PubChem (CID 158869545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).