3-[[4-[4-[2-(4-cyclopropylpiperazin-1-yl)ethoxy]phenyl]-1,3-thiazol-2-yl]methyl]-4-propan-2-yloxybenzenesulfonamide;3-[[4-[4-[(4-cyclopropylpiperazin-1-yl)methyl]phenyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-[4-[(4-cyclopropylpiperazin-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-yloxybenzamide;3-[[4-[4-(3-morpholin-4-ylpropoxy)phenyl]-1,3-thiazol-2-yl]methyl]-4-propan-2-yloxybenzamide

C132H162FN21O15S7 — CID 159185544

About 3-[[4-[4-[2-(4-cyclopropylpiperazin-1-yl)ethoxy]phenyl]-1,3-thiazol-2-yl]methyl]-4-propan-2-yloxybenzenesulfonamide;3-[[4-[4-[(4-cyclopropylpiperazin-1-yl)methyl]phenyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-[4-[(4-cyclopropylpiperazin-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-yloxybenzamide;3-[[4-[4-(3-morpholin-4-ylpropoxy)phenyl]-1,3-thiazol-2-yl]methyl]-4-propan-2-yloxybenzamide

3-[[4-[4-[2-(4-cyclopropylpiperazin-1-yl)ethoxy]phenyl]-1,3-thiazol-2-yl]methyl]-4-propan-2-yloxybenzenesulfonamide;3-[[4-[4-[(4-cyclopropylpiperazin-1-yl)methyl]phenyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-[4-[(4-cyclopropylpiperazin-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-yloxybenzamide;3-[[4-[4-(3-morpholin-4-ylpropoxy)phenyl]-1,3-thiazol-2-yl]methyl]-4-propan-2-yloxybenzamide (PubChem CID 159185544) has the molecular formula C132H162FN21O15S7 and a molecular weight of 2526.35 g/mol. Its IUPAC name is 3-[[4-[4-[2-(4-cyclopropylpiperazin-1-yl)ethoxy]phenyl]-1,3-thiazol-2-yl]methyl]-4-propan-2-yloxybenzenesulfonamide;3-[[4-[4-[(4-cyclopropylpiperazin-1-yl)methyl]phenyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-[4-[(4-cyclopropylpiperazin-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-yloxybenzamide;3-[[4-[4-(3-morpholin-4-ylpropoxy)phenyl]-1,3-thiazol-2-yl]methyl]-4-propan-2-yloxybenzamide.

Molecular Properties

• Compound Name: 3-[[4-[4-[2-(4-cyclopropylpiperazin-1-yl)ethoxy]phenyl]-1,3-thiazol-2-yl]methyl]-4-propan-2-yloxybenzenesulfonamide;3-[[4-[4-[(4-cyclopropylpiperazin-1-yl)methyl]phenyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-[4-[(4-cyclopropylpiperazin-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-yloxybenzamide;3-[[4-[4-(3-morpholin-4-ylpropoxy)phenyl]-1,3-thiazol-2-yl]methyl]-4-propan-2-yloxybenzamide
• PubChem CID: 159185544
• Molecular Formula: C132H162FN21O15S7
• Molecular Weight: 2526.35 g/mol
• Exact Mass: 2524.06
• IUPAC Name: 3-[[4-[4-[2-(4-cyclopropylpiperazin-1-yl)ethoxy]phenyl]-1,3-thiazol-2-yl]methyl]-4-propan-2-yloxybenzenesulfonamide;3-[[4-[4-[(4-cyclopropylpiperazin-1-yl)methyl]phenyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-[4-[(4-cyclopropylpiperazin-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-yloxybenzamide;3-[[4-[4-(3-morpholin-4-ylpropoxy)phenyl]-1,3-thiazol-2-yl]methyl]-4-propan-2-yloxybenzamide
• SMILES: CC(C)Oc1ccc(C(N)=O)cc1Cc1nc(-c2ccc(OCCCN3CCOCC3)cc2)cs1.CC(C)Oc1ccc(C(N)=O)cc1Nc1nc(-c2ccc(CN3CCN(C4CC4)CC3)cc2)cs1.CC(C)Oc1ccc(C(N)=O)cc1Nc1nc(-c2ccc(CN3CC[C@@H](F)C3)cc2)cs1.CC(C)Oc1ccc(S(N)(=O)=O)cc1Cc1nc(-c2ccc(OCCN3CCN(C4CC4)CC3)cc2)cs1.CC(C)Oc1ccc(S(N)(=O)=O)cc1Nc1nc(-c2ccc(CN3CCN(C4CC4)CC3)cc2)cs1
• InChI: InChI=1S/C28H36N4O4S2.C27H33N5O2S.C27H33N3O4S.C26H33N5O3S2.C24H27FN4O2S/c1-20(2)36-27-10-9-25(38(29,33)34)17-22(27)18-28-30-26(19-37-28)21-3-7-24(8-4-21)35-16-15-31-11-13-32(14-12-31)23-5-6-23;1-18(2)34-25-10-7-21(26(28)33)15-23(25)29-27-30-24(17-35-27)20-5-3-19(4-6-20)16-31-11-13-32(14-12-31)22-8-9-22;1-19(2)34-25-9-6-21(27(28)31)16-22(25)17-26-29-24(18-35-26)20-4-7-23(8-5-20)33-13-3-10-30-11-14-32-15-12-30;1-18(2)34-25-10-9-22(36(27,32)33)15-23(25)28-26-29-24(17-35-26)20-5-3-19(4-6-20)16-30-11-13-31(14-12-30)21-7-8-21;1-15(2)31-22-8-7-18(23(26)30)11-20(22)27-24-28-21(14-32-24)17-5-3-16(4-6-17)12-29-10-9-19(25)13-29/h3-4,7-10,17,19-20,23H,5-6,11-16,18H2,1-2H3,(H2,29,33,34);3-7,10,15,17-18,22H,8-9,11-14,16H2,1-2H3,(H2,28,33)(H,29,30);4-9,16,18-19H,3,10-15,17H2,1-2H3,(H2,28,31);3-6,9-10,15,17-18,21H,7-8,11-14,16H2,1-2H3,(H,28,29)(H2,27,32,33);3-8,11,14-15,19H,9-10,12-13H2,1-2H3,(H2,26,30)(H,27,28)/t;;;;19-/m....1/s1
• InChIKey: KNLCKMIBMGQIEJ-JTJPCTTNSA-N
• XLogP: 22.35
• TPSA: 449.89 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 36
• Rotatable Bonds: 48
• Heavy Atoms: 176
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2526.35
LogP ≤ 5	22.35
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[[4-[4-[2-(4-cyclopropylpiperazin-1-yl)ethoxy]phenyl]-1,3-thiazol-2-yl]methyl]-4-propan-2-yloxybenzenesulfonamide;3-[[4-[4-[(4-cyclopropylpiperazin-1-yl)methyl]phenyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-[4-[(4-cyclopropylpiperazin-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-yloxybenzamide;3-[[4-[4-(3-morpholin-4-ylpropoxy)phenyl]-1,3-thiazol-2-yl]methyl]-4-propan-2-yloxybenzamide?

The IUPAC name of 3-[[4-[4-[2-(4-cyclopropylpiperazin-1-yl)ethoxy]phenyl]-1,3-thiazol-2-yl]methyl]-4-propan-2-yloxybenzenesulfonamide;3-[[4-[4-[(4-cyclopropylpiperazin-1-yl)methyl]phenyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-[4-[(4-cyclopropylpiperazin-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-yloxybenzamide;3-[[4-[4-(3-morpholin-4-ylpropoxy)phenyl]-1,3-thiazol-2-yl]methyl]-4-propan-2-yloxybenzamide (CID 159185544) is 3-[[4-[4-[2-(4-cyclopropylpiperazin-1-yl)ethoxy]phenyl]-1,3-thiazol-2-yl]methyl]-4-propan-2-yloxybenzenesulfonamide;3-[[4-[4-[(4-cyclopropylpiperazin-1-yl)methyl]phenyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-[4-[(4-cyclopropylpiperazin-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-yloxybenzamide;3-[[4-[4-(3-morpholin-4-ylpropoxy)phenyl]-1,3-thiazol-2-yl]methyl]-4-propan-2-yloxybenzamide.

What is the SMILES notation for 3-[[4-[4-[2-(4-cyclopropylpiperazin-1-yl)ethoxy]phenyl]-1,3-thiazol-2-yl]methyl]-4-propan-2-yloxybenzenesulfonamide;3-[[4-[4-[(4-cyclopropylpiperazin-1-yl)methyl]phenyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-[4-[(4-cyclopropylpiperazin-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-yloxybenzamide;3-[[4-[4-(3-morpholin-4-ylpropoxy)phenyl]-1,3-thiazol-2-yl]methyl]-4-propan-2-yloxybenzamide?

The canonical SMILES for 3-[[4-[4-[2-(4-cyclopropylpiperazin-1-yl)ethoxy]phenyl]-1,3-thiazol-2-yl]methyl]-4-propan-2-yloxybenzenesulfonamide;3-[[4-[4-[(4-cyclopropylpiperazin-1-yl)methyl]phenyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-[4-[(4-cyclopropylpiperazin-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-yloxybenzamide;3-[[4-[4-(3-morpholin-4-ylpropoxy)phenyl]-1,3-thiazol-2-yl]methyl]-4-propan-2-yloxybenzamide is CC(C)Oc1ccc(C(N)=O)cc1Cc1nc(-c2ccc(OCCCN3CCOCC3)cc2)cs1.CC(C)Oc1ccc(C(N)=O)cc1Nc1nc(-c2ccc(CN3CCN(C4CC4)CC3)cc2)cs1.CC(C)Oc1ccc(C(N)=O)cc1Nc1nc(-c2ccc(CN3CC[C@@H](F)C3)cc2)cs1.CC(C)Oc1ccc(S(N)(=O)=O)cc1Cc1nc(-c2ccc(OCCN3CCN(C4CC4)CC3)cc2)cs1.CC(C)Oc1ccc(S(N)(=O)=O)cc1Nc1nc(-c2ccc(CN3CCN(C4CC4)CC3)cc2)cs1.

What is the InChIKey of 3-[[4-[4-[2-(4-cyclopropylpiperazin-1-yl)ethoxy]phenyl]-1,3-thiazol-2-yl]methyl]-4-propan-2-yloxybenzenesulfonamide;3-[[4-[4-[(4-cyclopropylpiperazin-1-yl)methyl]phenyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-[4-[(4-cyclopropylpiperazin-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-yloxybenzamide;3-[[4-[4-(3-morpholin-4-ylpropoxy)phenyl]-1,3-thiazol-2-yl]methyl]-4-propan-2-yloxybenzamide?

The InChIKey is KNLCKMIBMGQIEJ-JTJPCTTNSA-N. The full InChI is InChI=1S/C28H36N4O4S2.C27H33N5O2S.C27H33N3O4S.C26H33N5O3S2.C24H27FN4O2S/c1-20(2)36-27-10-9-25(38(29,33)34)17-22(27)18-28-30-26(19-37-28)21-3-7-24(8-4-21)35-16-15-31-11-13-32(14-12-31)23-5-6-23;1-18(2)34-25-10-7-21(26(28)33)15-23(25)29-27-30-24(17-35-27)20-5-3-19(4-6-20)16-31-11-13-32(14-12-31)22-8-9-22;1-19(2)34-25-9-6-21(27(28)31)16-22(25)17-26-29-24(18-35-26)20-4-7-23(8-5-20)33-13-3-10-30-11-14-32-15-12-30;1-18(2)34-25-10-9-22(36(27,32)33)15-23(25)28-26-29-24(17-35-26)20-5-3-19(4-6-20)16-30-11-13-31(14-12-30)21-7-8-21;1-15(2)31-22-8-7-18(23(26)30)11-20(22)27-24-28-21(14-32-24)17-5-3-16(4-6-17)12-29-10-9-19(25)13-29/h3-4,7-10,17,19-20,23H,5-6,11-16,18H2,1-2H3,(H2,29,33,34);3-7,10,15,17-18,22H,8-9,11-14,16H2,1-2H3,(H2,28,33)(H,29,30);4-9,16,18-19H,3,10-15,17H2,1-2H3,(H2,28,31);3-6,9-10,15,17-18,21H,7-8,11-14,16H2,1-2H3,(H,28,29)(H2,27,32,33);3-8,11,14-15,19H,9-10,12-13H2,1-2H3,(H2,26,30)(H,27,28)/t;;;;19-/m....1/s1.

What are the key properties of 3-[[4-[4-[2-(4-cyclopropylpiperazin-1-yl)ethoxy]phenyl]-1,3-thiazol-2-yl]methyl]-4-propan-2-yloxybenzenesulfonamide;3-[[4-[4-[(4-cyclopropylpiperazin-1-yl)methyl]phenyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-[4-[(4-cyclopropylpiperazin-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-yloxybenzamide;3-[[4-[4-(3-morpholin-4-ylpropoxy)phenyl]-1,3-thiazol-2-yl]methyl]-4-propan-2-yloxybenzamide?

3-[[4-[4-[2-(4-cyclopropylpiperazin-1-yl)ethoxy]phenyl]-1,3-thiazol-2-yl]methyl]-4-propan-2-yloxybenzenesulfonamide;3-[[4-[4-[(4-cyclopropylpiperazin-1-yl)methyl]phenyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-[4-[(4-cyclopropylpiperazin-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-yloxybenzamide;3-[[4-[4-(3-morpholin-4-ylpropoxy)phenyl]-1,3-thiazol-2-yl]methyl]-4-propan-2-yloxybenzamide has a molecular weight of 2526.35 g/mol, XLogP of 22.35, 48 rotatable bonds, 8 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[4-[4-[2-(4-cyclopropylpiperazin-1-yl)ethoxy]phenyl]-1,3-thiazol-2-yl]methyl]-4-propan-2-yloxybenzenesulfonamide;3-[[4-[4-[(4-cyclopropylpiperazin-1-yl)methyl]phenyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-[4-[(4-cyclopropylpiperazin-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-yloxybenzamide;3-[[4-[4-(3-morpholin-4-ylpropoxy)phenyl]-1,3-thiazol-2-yl]methyl]-4-propan-2-yloxybenzamide is sourced from PubChem (CID 159185544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).