4-[4-[(4-cyclopropylpiperazin-1-yl)methyl]phenyl]-N-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-amine;3-[[4-[4-[(4-fluoropiperidin-1-yl)methyl]phenyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-[4-[(4-fluoropiperidin-1-yl)methyl]phenyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide;3-[[4-[4-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]phenyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide;3-[[4-[4-(3-morpholin-4-ylpropoxy)phenyl]-1,3-thiazol-2-yl]methyl]-4-propan-2-yloxybenzenesulfonamide

C122H145F4N19O14S8 — CID 158513487

About 4-[4-[(4-cyclopropylpiperazin-1-yl)methyl]phenyl]-N-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-amine;3-[[4-[4-[(4-fluoropiperidin-1-yl)methyl]phenyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-[4-[(4-fluoropiperidin-1-yl)methyl]phenyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide;3-[[4-[4-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]phenyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide;3-[[4-[4-(3-morpholin-4-ylpropoxy)phenyl]-1,3-thiazol-2-yl]methyl]-4-propan-2-yloxybenzenesulfonamide

4-[4-[(4-cyclopropylpiperazin-1-yl)methyl]phenyl]-N-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-amine;3-[[4-[4-[(4-fluoropiperidin-1-yl)methyl]phenyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-[4-[(4-fluoropiperidin-1-yl)methyl]phenyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide;3-[[4-[4-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]phenyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide;3-[[4-[4-(3-morpholin-4-ylpropoxy)phenyl]-1,3-thiazol-2-yl]methyl]-4-propan-2-yloxybenzenesulfonamide (PubChem CID 158513487) has the molecular formula C122H145F4N19O14S8 and a molecular weight of 2434.15 g/mol. Its IUPAC name is 4-[4-[(4-cyclopropylpiperazin-1-yl)methyl]phenyl]-N-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-amine;3-[[4-[4-[(4-fluoropiperidin-1-yl)methyl]phenyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-[4-[(4-fluoropiperidin-1-yl)methyl]phenyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide;3-[[4-[4-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]phenyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide;3-[[4-[4-(3-morpholin-4-ylpropoxy)phenyl]-1,3-thiazol-2-yl]methyl]-4-propan-2-yloxybenzenesulfonamide.

Molecular Properties

• Compound Name: 4-[4-[(4-cyclopropylpiperazin-1-yl)methyl]phenyl]-N-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-amine;3-[[4-[4-[(4-fluoropiperidin-1-yl)methyl]phenyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-[4-[(4-fluoropiperidin-1-yl)methyl]phenyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide;3-[[4-[4-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]phenyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide;3-[[4-[4-(3-morpholin-4-ylpropoxy)phenyl]-1,3-thiazol-2-yl]methyl]-4-propan-2-yloxybenzenesulfonamide
• PubChem CID: 158513487
• Molecular Formula: C122H145F4N19O14S8
• Molecular Weight: 2434.15 g/mol
• Exact Mass: 2431.89
• IUPAC Name: 4-[4-[(4-cyclopropylpiperazin-1-yl)methyl]phenyl]-N-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-amine;3-[[4-[4-[(4-fluoropiperidin-1-yl)methyl]phenyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-[4-[(4-fluoropiperidin-1-yl)methyl]phenyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide;3-[[4-[4-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]phenyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide;3-[[4-[4-(3-morpholin-4-ylpropoxy)phenyl]-1,3-thiazol-2-yl]methyl]-4-propan-2-yloxybenzenesulfonamide
• SMILES: CC(C)Oc1ccc(C(N)=O)cc1Nc1nc(-c2ccc(CN3CCC(F)CC3)cc2)cs1.CC(C)Oc1ccc(S(N)(=O)=O)cc1Cc1nc(-c2ccc(OCCCN3CCOCC3)cc2)cs1.CC(C)Oc1ccc(S(N)(=O)=O)cc1Nc1nc(-c2ccc(CN3CCC(F)CC3)cc2)cs1.CC(C)Oc1ccc(S(N)(=O)=O)cc1Nc1nc(-c2ccc(CN3CC[C@@H](F)C3)cc2)cs1.COc1ccc(F)cc1Nc1nc(-c2ccc(CN3CCN(C4CC4)CC3)cc2)cs1
• InChI: InChI=1S/C26H33N3O5S2.C25H29FN4O2S.C24H29FN4O3S2.C24H27FN4OS.C23H27FN4O3S2/c1-19(2)34-25-9-8-23(36(27,30)31)16-21(25)17-26-28-24(18-35-26)20-4-6-22(7-5-20)33-13-3-10-29-11-14-32-15-12-29;1-16(2)32-23-8-7-19(24(27)31)13-21(23)28-25-29-22(15-33-25)18-5-3-17(4-6-18)14-30-11-9-20(26)10-12-30;1-16(2)32-23-8-7-20(34(26,30)31)13-21(23)27-24-28-22(15-33-24)18-5-3-17(4-6-18)14-29-11-9-19(25)10-12-29;1-30-23-9-6-19(25)14-21(23)26-24-27-22(16-31-24)18-4-2-17(3-5-18)15-28-10-12-29(13-11-28)20-7-8-20;1-15(2)31-22-8-7-19(33(25,29)30)11-20(22)26-23-27-21(14-32-23)17-5-3-16(4-6-17)12-28-10-9-18(24)13-28/h4-9,16,18-19H,3,10-15,17H2,1-2H3,(H2,27,30,31);3-8,13,15-16,20H,9-12,14H2,1-2H3,(H2,27,31)(H,28,29);3-8,13,15-16,19H,9-12,14H2,1-2H3,(H,27,28)(H2,26,30,31);2-6,9,14,16,20H,7-8,10-13,15H2,1H3,(H,26,27);3-8,11,14-15,18H,9-10,12-13H2,1-2H3,(H,26,27)(H2,25,29,30)/t;;;;18-/m....1/s1
• InChIKey: HLIPUNZSENVCNP-JCSRQCKISA-N
• XLogP: 23.75
• TPSA: 420.19 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 34
• Rotatable Bonds: 42
• Heavy Atoms: 167
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2434.15
LogP ≤ 5	23.75
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(4-cyclopropylpiperazin-1-yl)methyl]phenyl]-N-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-amine;3-[[4-[4-[(4-fluoropiperidin-1-yl)methyl]phenyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-[4-[(4-fluoropiperidin-1-yl)methyl]phenyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide;3-[[4-[4-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]phenyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide;3-[[4-[4-(3-morpholin-4-ylpropoxy)phenyl]-1,3-thiazol-2-yl]methyl]-4-propan-2-yloxybenzenesulfonamide?

The IUPAC name of 4-[4-[(4-cyclopropylpiperazin-1-yl)methyl]phenyl]-N-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-amine;3-[[4-[4-[(4-fluoropiperidin-1-yl)methyl]phenyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-[4-[(4-fluoropiperidin-1-yl)methyl]phenyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide;3-[[4-[4-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]phenyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide;3-[[4-[4-(3-morpholin-4-ylpropoxy)phenyl]-1,3-thiazol-2-yl]methyl]-4-propan-2-yloxybenzenesulfonamide (CID 158513487) is 4-[4-[(4-cyclopropylpiperazin-1-yl)methyl]phenyl]-N-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-amine;3-[[4-[4-[(4-fluoropiperidin-1-yl)methyl]phenyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-[4-[(4-fluoropiperidin-1-yl)methyl]phenyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide;3-[[4-[4-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]phenyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide;3-[[4-[4-(3-morpholin-4-ylpropoxy)phenyl]-1,3-thiazol-2-yl]methyl]-4-propan-2-yloxybenzenesulfonamide.

What is the SMILES notation for 4-[4-[(4-cyclopropylpiperazin-1-yl)methyl]phenyl]-N-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-amine;3-[[4-[4-[(4-fluoropiperidin-1-yl)methyl]phenyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-[4-[(4-fluoropiperidin-1-yl)methyl]phenyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide;3-[[4-[4-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]phenyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide;3-[[4-[4-(3-morpholin-4-ylpropoxy)phenyl]-1,3-thiazol-2-yl]methyl]-4-propan-2-yloxybenzenesulfonamide?

The canonical SMILES for 4-[4-[(4-cyclopropylpiperazin-1-yl)methyl]phenyl]-N-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-amine;3-[[4-[4-[(4-fluoropiperidin-1-yl)methyl]phenyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-[4-[(4-fluoropiperidin-1-yl)methyl]phenyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide;3-[[4-[4-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]phenyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide;3-[[4-[4-(3-morpholin-4-ylpropoxy)phenyl]-1,3-thiazol-2-yl]methyl]-4-propan-2-yloxybenzenesulfonamide is CC(C)Oc1ccc(C(N)=O)cc1Nc1nc(-c2ccc(CN3CCC(F)CC3)cc2)cs1.CC(C)Oc1ccc(S(N)(=O)=O)cc1Cc1nc(-c2ccc(OCCCN3CCOCC3)cc2)cs1.CC(C)Oc1ccc(S(N)(=O)=O)cc1Nc1nc(-c2ccc(CN3CCC(F)CC3)cc2)cs1.CC(C)Oc1ccc(S(N)(=O)=O)cc1Nc1nc(-c2ccc(CN3CC[C@@H](F)C3)cc2)cs1.COc1ccc(F)cc1Nc1nc(-c2ccc(CN3CCN(C4CC4)CC3)cc2)cs1.

What is the InChIKey of 4-[4-[(4-cyclopropylpiperazin-1-yl)methyl]phenyl]-N-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-amine;3-[[4-[4-[(4-fluoropiperidin-1-yl)methyl]phenyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-[4-[(4-fluoropiperidin-1-yl)methyl]phenyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide;3-[[4-[4-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]phenyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide;3-[[4-[4-(3-morpholin-4-ylpropoxy)phenyl]-1,3-thiazol-2-yl]methyl]-4-propan-2-yloxybenzenesulfonamide?

The InChIKey is HLIPUNZSENVCNP-JCSRQCKISA-N. The full InChI is InChI=1S/C26H33N3O5S2.C25H29FN4O2S.C24H29FN4O3S2.C24H27FN4OS.C23H27FN4O3S2/c1-19(2)34-25-9-8-23(36(27,30)31)16-21(25)17-26-28-24(18-35-26)20-4-6-22(7-5-20)33-13-3-10-29-11-14-32-15-12-29;1-16(2)32-23-8-7-19(24(27)31)13-21(23)28-25-29-22(15-33-25)18-5-3-17(4-6-18)14-30-11-9-20(26)10-12-30;1-16(2)32-23-8-7-20(34(26,30)31)13-21(23)27-24-28-22(15-33-24)18-5-3-17(4-6-18)14-29-11-9-19(25)10-12-29;1-30-23-9-6-19(25)14-21(23)26-24-27-22(16-31-24)18-4-2-17(3-5-18)15-28-10-12-29(13-11-28)20-7-8-20;1-15(2)31-22-8-7-19(33(25,29)30)11-20(22)26-23-27-21(14-32-23)17-5-3-16(4-6-17)12-28-10-9-18(24)13-28/h4-9,16,18-19H,3,10-15,17H2,1-2H3,(H2,27,30,31);3-8,13,15-16,20H,9-12,14H2,1-2H3,(H2,27,31)(H,28,29);3-8,13,15-16,19H,9-12,14H2,1-2H3,(H,27,28)(H2,26,30,31);2-6,9,14,16,20H,7-8,10-13,15H2,1H3,(H,26,27);3-8,11,14-15,18H,9-10,12-13H2,1-2H3,(H,26,27)(H2,25,29,30)/t;;;;18-/m....1/s1.

What are the key properties of 4-[4-[(4-cyclopropylpiperazin-1-yl)methyl]phenyl]-N-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-amine;3-[[4-[4-[(4-fluoropiperidin-1-yl)methyl]phenyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-[4-[(4-fluoropiperidin-1-yl)methyl]phenyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide;3-[[4-[4-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]phenyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide;3-[[4-[4-(3-morpholin-4-ylpropoxy)phenyl]-1,3-thiazol-2-yl]methyl]-4-propan-2-yloxybenzenesulfonamide?

4-[4-[(4-cyclopropylpiperazin-1-yl)methyl]phenyl]-N-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-amine;3-[[4-[4-[(4-fluoropiperidin-1-yl)methyl]phenyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-[4-[(4-fluoropiperidin-1-yl)methyl]phenyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide;3-[[4-[4-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]phenyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide;3-[[4-[4-(3-morpholin-4-ylpropoxy)phenyl]-1,3-thiazol-2-yl]methyl]-4-propan-2-yloxybenzenesulfonamide has a molecular weight of 2434.15 g/mol, XLogP of 23.75, 42 rotatable bonds, 8 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-[(4-cyclopropylpiperazin-1-yl)methyl]phenyl]-N-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-amine;3-[[4-[4-[(4-fluoropiperidin-1-yl)methyl]phenyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-[4-[(4-fluoropiperidin-1-yl)methyl]phenyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide;3-[[4-[4-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]phenyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide;3-[[4-[4-(3-morpholin-4-ylpropoxy)phenyl]-1,3-thiazol-2-yl]methyl]-4-propan-2-yloxybenzenesulfonamide is sourced from PubChem (CID 158513487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).