N-(5-fluoro-2-methoxyphenyl)-4-[4-[(4-fluoropiperidin-1-yl)methyl]phenyl]-1,3-thiazol-2-amine;2-[(5-fluoro-2-methoxyphenyl)methyl]-4-[4-[2-(4-fluoropiperidin-1-yl)ethoxy]phenyl]-1,3-thiazole;2-[(5-fluoro-2-methoxyphenyl)methyl]-4-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1,3-thiazole;N-(5-fluoro-2-methoxyphenyl)-4-[4-(morpholin-4-ylmethyl)phenyl]-1,3-thiazol-2-amine;N-(5-fluoro-2-methoxyphenyl)-4-[4-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]-1,3-thiazol-2-amine

C115H128F7N15O8S5 — CID 157113578

About N-(5-fluoro-2-methoxyphenyl)-4-[4-[(4-fluoropiperidin-1-yl)methyl]phenyl]-1,3-thiazol-2-amine;2-[(5-fluoro-2-methoxyphenyl)methyl]-4-[4-[2-(4-fluoropiperidin-1-yl)ethoxy]phenyl]-1,3-thiazole;2-[(5-fluoro-2-methoxyphenyl)methyl]-4-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1,3-thiazole;N-(5-fluoro-2-methoxyphenyl)-4-[4-(morpholin-4-ylmethyl)phenyl]-1,3-thiazol-2-amine;N-(5-fluoro-2-methoxyphenyl)-4-[4-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]-1,3-thiazol-2-amine

N-(5-fluoro-2-methoxyphenyl)-4-[4-[(4-fluoropiperidin-1-yl)methyl]phenyl]-1,3-thiazol-2-amine;2-[(5-fluoro-2-methoxyphenyl)methyl]-4-[4-[2-(4-fluoropiperidin-1-yl)ethoxy]phenyl]-1,3-thiazole;2-[(5-fluoro-2-methoxyphenyl)methyl]-4-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1,3-thiazole;N-(5-fluoro-2-methoxyphenyl)-4-[4-(morpholin-4-ylmethyl)phenyl]-1,3-thiazol-2-amine;N-(5-fluoro-2-methoxyphenyl)-4-[4-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]-1,3-thiazol-2-amine (PubChem CID 157113578) has the molecular formula C115H128F7N15O8S5 and a molecular weight of 2141.71 g/mol. Its IUPAC name is N-(5-fluoro-2-methoxyphenyl)-4-[4-[(4-fluoropiperidin-1-yl)methyl]phenyl]-1,3-thiazol-2-amine;2-[(5-fluoro-2-methoxyphenyl)methyl]-4-[4-[2-(4-fluoropiperidin-1-yl)ethoxy]phenyl]-1,3-thiazole;2-[(5-fluoro-2-methoxyphenyl)methyl]-4-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1,3-thiazole;N-(5-fluoro-2-methoxyphenyl)-4-[4-(morpholin-4-ylmethyl)phenyl]-1,3-thiazol-2-amine;N-(5-fluoro-2-methoxyphenyl)-4-[4-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]-1,3-thiazol-2-amine.

Molecular Properties

• Compound Name: N-(5-fluoro-2-methoxyphenyl)-4-[4-[(4-fluoropiperidin-1-yl)methyl]phenyl]-1,3-thiazol-2-amine;2-[(5-fluoro-2-methoxyphenyl)methyl]-4-[4-[2-(4-fluoropiperidin-1-yl)ethoxy]phenyl]-1,3-thiazole;2-[(5-fluoro-2-methoxyphenyl)methyl]-4-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1,3-thiazole;N-(5-fluoro-2-methoxyphenyl)-4-[4-(morpholin-4-ylmethyl)phenyl]-1,3-thiazol-2-amine;N-(5-fluoro-2-methoxyphenyl)-4-[4-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]-1,3-thiazol-2-amine
• PubChem CID: 157113578
• Molecular Formula: C115H128F7N15O8S5
• Molecular Weight: 2141.71 g/mol
• Exact Mass: 2139.86
• IUPAC Name: N-(5-fluoro-2-methoxyphenyl)-4-[4-[(4-fluoropiperidin-1-yl)methyl]phenyl]-1,3-thiazol-2-amine;2-[(5-fluoro-2-methoxyphenyl)methyl]-4-[4-[2-(4-fluoropiperidin-1-yl)ethoxy]phenyl]-1,3-thiazole;2-[(5-fluoro-2-methoxyphenyl)methyl]-4-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1,3-thiazole;N-(5-fluoro-2-methoxyphenyl)-4-[4-(morpholin-4-ylmethyl)phenyl]-1,3-thiazol-2-amine;N-(5-fluoro-2-methoxyphenyl)-4-[4-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]-1,3-thiazol-2-amine
• SMILES: COc1ccc(F)cc1Cc1nc(-c2ccc(OCCN3CCC(F)CC3)cc2)cs1.COc1ccc(F)cc1Cc1nc(-c2ccc(OCCN3CCN(C)CC3)cc2)cs1.COc1ccc(F)cc1Nc1nc(-c2ccc(CN3CCC(F)CC3)cc2)cs1.COc1ccc(F)cc1Nc1nc(-c2ccc(CN3CCN(C(C)C)CC3)cc2)cs1.COc1ccc(F)cc1Nc1nc(-c2ccc(CN3CCOCC3)cc2)cs1
• InChI: InChI=1S/C24H26F2N2O2S.C24H29FN4OS.C24H28FN3O2S.C22H23F2N3OS.C21H22FN3O2S/c1-29-23-7-4-20(26)14-18(23)15-24-27-22(16-31-24)17-2-5-21(6-3-17)30-13-12-28-10-8-19(25)9-11-28;1-17(2)29-12-10-28(11-13-29)15-18-4-6-19(7-5-18)22-16-31-24(27-22)26-21-14-20(25)8-9-23(21)30-3;1-27-9-11-28(12-10-27)13-14-30-21-6-3-18(4-7-21)22-17-31-24(26-22)16-19-15-20(25)5-8-23(19)29-2;1-28-21-7-6-18(24)12-19(21)25-22-26-20(14-29-22)16-4-2-15(3-5-16)13-27-10-8-17(23)9-11-27;1-26-20-7-6-17(22)12-18(20)23-21-24-19(14-28-21)16-4-2-15(3-5-16)13-25-8-10-27-11-9-25/h2-7,14,16,19H,8-13,15H2,1H3;4-9,14,16-17H,10-13,15H2,1-3H3,(H,26,27);3-8,15,17H,9-14,16H2,1-2H3;2-7,12,14,17H,8-11,13H2,1H3,(H,25,26);2-7,12,14H,8-11,13H2,1H3,(H,23,24)
• InChIKey: AHDAMYWVDNXXCK-UHFFFAOYSA-N
• XLogP: 24.93
• TPSA: 197.06 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 28
• Rotatable Bonds: 35
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2141.71
LogP ≤ 5	24.93
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2-methoxyphenyl)-4-[4-[(4-fluoropiperidin-1-yl)methyl]phenyl]-1,3-thiazol-2-amine;2-[(5-fluoro-2-methoxyphenyl)methyl]-4-[4-[2-(4-fluoropiperidin-1-yl)ethoxy]phenyl]-1,3-thiazole;2-[(5-fluoro-2-methoxyphenyl)methyl]-4-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1,3-thiazole;N-(5-fluoro-2-methoxyphenyl)-4-[4-(morpholin-4-ylmethyl)phenyl]-1,3-thiazol-2-amine;N-(5-fluoro-2-methoxyphenyl)-4-[4-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]-1,3-thiazol-2-amine?

The IUPAC name of N-(5-fluoro-2-methoxyphenyl)-4-[4-[(4-fluoropiperidin-1-yl)methyl]phenyl]-1,3-thiazol-2-amine;2-[(5-fluoro-2-methoxyphenyl)methyl]-4-[4-[2-(4-fluoropiperidin-1-yl)ethoxy]phenyl]-1,3-thiazole;2-[(5-fluoro-2-methoxyphenyl)methyl]-4-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1,3-thiazole;N-(5-fluoro-2-methoxyphenyl)-4-[4-(morpholin-4-ylmethyl)phenyl]-1,3-thiazol-2-amine;N-(5-fluoro-2-methoxyphenyl)-4-[4-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]-1,3-thiazol-2-amine (CID 157113578) is N-(5-fluoro-2-methoxyphenyl)-4-[4-[(4-fluoropiperidin-1-yl)methyl]phenyl]-1,3-thiazol-2-amine;2-[(5-fluoro-2-methoxyphenyl)methyl]-4-[4-[2-(4-fluoropiperidin-1-yl)ethoxy]phenyl]-1,3-thiazole;2-[(5-fluoro-2-methoxyphenyl)methyl]-4-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1,3-thiazole;N-(5-fluoro-2-methoxyphenyl)-4-[4-(morpholin-4-ylmethyl)phenyl]-1,3-thiazol-2-amine;N-(5-fluoro-2-methoxyphenyl)-4-[4-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]-1,3-thiazol-2-amine.

What is the SMILES notation for N-(5-fluoro-2-methoxyphenyl)-4-[4-[(4-fluoropiperidin-1-yl)methyl]phenyl]-1,3-thiazol-2-amine;2-[(5-fluoro-2-methoxyphenyl)methyl]-4-[4-[2-(4-fluoropiperidin-1-yl)ethoxy]phenyl]-1,3-thiazole;2-[(5-fluoro-2-methoxyphenyl)methyl]-4-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1,3-thiazole;N-(5-fluoro-2-methoxyphenyl)-4-[4-(morpholin-4-ylmethyl)phenyl]-1,3-thiazol-2-amine;N-(5-fluoro-2-methoxyphenyl)-4-[4-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]-1,3-thiazol-2-amine?

The canonical SMILES for N-(5-fluoro-2-methoxyphenyl)-4-[4-[(4-fluoropiperidin-1-yl)methyl]phenyl]-1,3-thiazol-2-amine;2-[(5-fluoro-2-methoxyphenyl)methyl]-4-[4-[2-(4-fluoropiperidin-1-yl)ethoxy]phenyl]-1,3-thiazole;2-[(5-fluoro-2-methoxyphenyl)methyl]-4-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1,3-thiazole;N-(5-fluoro-2-methoxyphenyl)-4-[4-(morpholin-4-ylmethyl)phenyl]-1,3-thiazol-2-amine;N-(5-fluoro-2-methoxyphenyl)-4-[4-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]-1,3-thiazol-2-amine is COc1ccc(F)cc1Cc1nc(-c2ccc(OCCN3CCC(F)CC3)cc2)cs1.COc1ccc(F)cc1Cc1nc(-c2ccc(OCCN3CCN(C)CC3)cc2)cs1.COc1ccc(F)cc1Nc1nc(-c2ccc(CN3CCC(F)CC3)cc2)cs1.COc1ccc(F)cc1Nc1nc(-c2ccc(CN3CCN(C(C)C)CC3)cc2)cs1.COc1ccc(F)cc1Nc1nc(-c2ccc(CN3CCOCC3)cc2)cs1.

What is the InChIKey of N-(5-fluoro-2-methoxyphenyl)-4-[4-[(4-fluoropiperidin-1-yl)methyl]phenyl]-1,3-thiazol-2-amine;2-[(5-fluoro-2-methoxyphenyl)methyl]-4-[4-[2-(4-fluoropiperidin-1-yl)ethoxy]phenyl]-1,3-thiazole;2-[(5-fluoro-2-methoxyphenyl)methyl]-4-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1,3-thiazole;N-(5-fluoro-2-methoxyphenyl)-4-[4-(morpholin-4-ylmethyl)phenyl]-1,3-thiazol-2-amine;N-(5-fluoro-2-methoxyphenyl)-4-[4-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]-1,3-thiazol-2-amine?

The InChIKey is AHDAMYWVDNXXCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F2N2O2S.C24H29FN4OS.C24H28FN3O2S.C22H23F2N3OS.C21H22FN3O2S/c1-29-23-7-4-20(26)14-18(23)15-24-27-22(16-31-24)17-2-5-21(6-3-17)30-13-12-28-10-8-19(25)9-11-28;1-17(2)29-12-10-28(11-13-29)15-18-4-6-19(7-5-18)22-16-31-24(27-22)26-21-14-20(25)8-9-23(21)30-3;1-27-9-11-28(12-10-27)13-14-30-21-6-3-18(4-7-21)22-17-31-24(26-22)16-19-15-20(25)5-8-23(19)29-2;1-28-21-7-6-18(24)12-19(21)25-22-26-20(14-29-22)16-4-2-15(3-5-16)13-27-10-8-17(23)9-11-27;1-26-20-7-6-17(22)12-18(20)23-21-24-19(14-28-21)16-4-2-15(3-5-16)13-25-8-10-27-11-9-25/h2-7,14,16,19H,8-13,15H2,1H3;4-9,14,16-17H,10-13,15H2,1-3H3,(H,26,27);3-8,15,17H,9-14,16H2,1-2H3;2-7,12,14,17H,8-11,13H2,1H3,(H,25,26);2-7,12,14H,8-11,13H2,1H3,(H,23,24).

What are the key properties of N-(5-fluoro-2-methoxyphenyl)-4-[4-[(4-fluoropiperidin-1-yl)methyl]phenyl]-1,3-thiazol-2-amine;2-[(5-fluoro-2-methoxyphenyl)methyl]-4-[4-[2-(4-fluoropiperidin-1-yl)ethoxy]phenyl]-1,3-thiazole;2-[(5-fluoro-2-methoxyphenyl)methyl]-4-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1,3-thiazole;N-(5-fluoro-2-methoxyphenyl)-4-[4-(morpholin-4-ylmethyl)phenyl]-1,3-thiazol-2-amine;N-(5-fluoro-2-methoxyphenyl)-4-[4-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]-1,3-thiazol-2-amine?

N-(5-fluoro-2-methoxyphenyl)-4-[4-[(4-fluoropiperidin-1-yl)methyl]phenyl]-1,3-thiazol-2-amine;2-[(5-fluoro-2-methoxyphenyl)methyl]-4-[4-[2-(4-fluoropiperidin-1-yl)ethoxy]phenyl]-1,3-thiazole;2-[(5-fluoro-2-methoxyphenyl)methyl]-4-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1,3-thiazole;N-(5-fluoro-2-methoxyphenyl)-4-[4-(morpholin-4-ylmethyl)phenyl]-1,3-thiazol-2-amine;N-(5-fluoro-2-methoxyphenyl)-4-[4-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]-1,3-thiazol-2-amine has a molecular weight of 2141.71 g/mol, XLogP of 24.93, 35 rotatable bonds, 3 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-fluoro-2-methoxyphenyl)-4-[4-[(4-fluoropiperidin-1-yl)methyl]phenyl]-1,3-thiazol-2-amine;2-[(5-fluoro-2-methoxyphenyl)methyl]-4-[4-[2-(4-fluoropiperidin-1-yl)ethoxy]phenyl]-1,3-thiazole;2-[(5-fluoro-2-methoxyphenyl)methyl]-4-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1,3-thiazole;N-(5-fluoro-2-methoxyphenyl)-4-[4-(morpholin-4-ylmethyl)phenyl]-1,3-thiazol-2-amine;N-(5-fluoro-2-methoxyphenyl)-4-[4-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 157113578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).