3-[[4-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]-1,3-thiazol-2-yl]amino]-4-(2-methylpropyl)benzenesulfonamide;3-[[4-[6-(3,5-dimethylpiperazin-1-yl)-3-pyridinyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide;3-[[4-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide;4-propan-2-yloxy-3-[[4-[6-[4-(3,3,3-trifluoropropyl)piperazin-1-yl]-3-pyridinyl]-1,3-thiazol-2-yl]amino]benzenesulfonamide

C92H113F3N24O13S8 — CID 158665599

About 3-[[4-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]-1,3-thiazol-2-yl]amino]-4-(2-methylpropyl)benzenesulfonamide;3-[[4-[6-(3,5-dimethylpiperazin-1-yl)-3-pyridinyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide;3-[[4-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide;4-propan-2-yloxy-3-[[4-[6-[4-(3,3,3-trifluoropropyl)piperazin-1-yl]-3-pyridinyl]-1,3-thiazol-2-yl]amino]benzenesulfonamide

3-[[4-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]-1,3-thiazol-2-yl]amino]-4-(2-methylpropyl)benzenesulfonamide;3-[[4-[6-(3,5-dimethylpiperazin-1-yl)-3-pyridinyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide;3-[[4-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide;4-propan-2-yloxy-3-[[4-[6-[4-(3,3,3-trifluoropropyl)piperazin-1-yl]-3-pyridinyl]-1,3-thiazol-2-yl]amino]benzenesulfonamide (PubChem CID 158665599) has the molecular formula C92H113F3N24O13S8 and a molecular weight of 2076.60 g/mol. Its IUPAC name is 3-[[4-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]-1,3-thiazol-2-yl]amino]-4-(2-methylpropyl)benzenesulfonamide;3-[[4-[6-(3,5-dimethylpiperazin-1-yl)-3-pyridinyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide;3-[[4-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide;4-propan-2-yloxy-3-[[4-[6-[4-(3,3,3-trifluoropropyl)piperazin-1-yl]-3-pyridinyl]-1,3-thiazol-2-yl]amino]benzenesulfonamide.

Molecular Properties

• Compound Name: 3-[[4-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]-1,3-thiazol-2-yl]amino]-4-(2-methylpropyl)benzenesulfonamide;3-[[4-[6-(3,5-dimethylpiperazin-1-yl)-3-pyridinyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide;3-[[4-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide;4-propan-2-yloxy-3-[[4-[6-[4-(3,3,3-trifluoropropyl)piperazin-1-yl]-3-pyridinyl]-1,3-thiazol-2-yl]amino]benzenesulfonamide
• PubChem CID: 158665599
• Molecular Formula: C92H113F3N24O13S8
• Molecular Weight: 2076.60 g/mol
• Exact Mass: 2074.66
• IUPAC Name: 3-[[4-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]-1,3-thiazol-2-yl]amino]-4-(2-methylpropyl)benzenesulfonamide;3-[[4-[6-(3,5-dimethylpiperazin-1-yl)-3-pyridinyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide;3-[[4-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide;4-propan-2-yloxy-3-[[4-[6-[4-(3,3,3-trifluoropropyl)piperazin-1-yl]-3-pyridinyl]-1,3-thiazol-2-yl]amino]benzenesulfonamide
• SMILES: CC(=O)N1CCN(c2ccc(-c3csc(Nc4cc(S(N)(=O)=O)ccc4CC(C)C)n3)cn2)CC1.CC(C)Oc1ccc(S(N)(=O)=O)cc1Nc1nc(-c2ccc(N3CCN(CCC(F)(F)F)CC3)nc2)cs1.CC(C)Oc1ccc(S(N)(=O)=O)cc1Nc1nc(-c2ccc(N3CCNC(=O)C3)nc2)cs1.CC1CN(c2ccc(-c3csc(Nc4cc(S(N)(=O)=O)ccc4OC(C)C)n3)cn2)CC(C)N1
• InChI: InChI=1S/C24H29F3N6O3S2.C24H30N6O3S2.C23H30N6O3S2.C21H24N6O4S2/c1-16(2)36-21-5-4-18(38(28,34)35)13-19(21)30-23-31-20(15-37-23)17-3-6-22(29-14-17)33-11-9-32(10-12-33)8-7-24(25,26)27;1-16(2)12-18-4-6-20(35(25,32)33)13-21(18)27-24-28-22(15-34-24)19-5-7-23(26-14-19)30-10-8-29(9-11-30)17(3)31;1-14(2)32-21-7-6-18(34(24,30)31)9-19(21)27-23-28-20(13-33-23)17-5-8-22(25-10-17)29-11-15(3)26-16(4)12-29;1-13(2)31-18-5-4-15(33(22,29)30)9-16(18)25-21-26-17(12-32-21)14-3-6-19(24-10-14)27-8-7-23-20(28)11-27/h3-6,13-16H,7-12H2,1-2H3,(H,30,31)(H2,28,34,35);4-7,13-16H,8-12H2,1-3H3,(H,27,28)(H2,25,32,33);5-10,13-16,26H,11-12H2,1-4H3,(H,27,28)(H2,24,30,31);3-6,9-10,12-13H,7-8,11H2,1-2H3,(H,23,28)(H,25,26)(H2,22,29,30)
• InChIKey: IDHUAJXDHHANNS-UHFFFAOYSA-N
• XLogP: 13.81
• TPSA: 497.21 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 35
• Rotatable Bonds: 30
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2076.60
LogP ≤ 5	13.81
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	35

Frequently Asked Questions

What is the IUPAC name of 3-[[4-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]-1,3-thiazol-2-yl]amino]-4-(2-methylpropyl)benzenesulfonamide;3-[[4-[6-(3,5-dimethylpiperazin-1-yl)-3-pyridinyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide;3-[[4-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide;4-propan-2-yloxy-3-[[4-[6-[4-(3,3,3-trifluoropropyl)piperazin-1-yl]-3-pyridinyl]-1,3-thiazol-2-yl]amino]benzenesulfonamide?

The IUPAC name of 3-[[4-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]-1,3-thiazol-2-yl]amino]-4-(2-methylpropyl)benzenesulfonamide;3-[[4-[6-(3,5-dimethylpiperazin-1-yl)-3-pyridinyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide;3-[[4-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide;4-propan-2-yloxy-3-[[4-[6-[4-(3,3,3-trifluoropropyl)piperazin-1-yl]-3-pyridinyl]-1,3-thiazol-2-yl]amino]benzenesulfonamide (CID 158665599) is 3-[[4-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]-1,3-thiazol-2-yl]amino]-4-(2-methylpropyl)benzenesulfonamide;3-[[4-[6-(3,5-dimethylpiperazin-1-yl)-3-pyridinyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide;3-[[4-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide;4-propan-2-yloxy-3-[[4-[6-[4-(3,3,3-trifluoropropyl)piperazin-1-yl]-3-pyridinyl]-1,3-thiazol-2-yl]amino]benzenesulfonamide.

What is the SMILES notation for 3-[[4-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]-1,3-thiazol-2-yl]amino]-4-(2-methylpropyl)benzenesulfonamide;3-[[4-[6-(3,5-dimethylpiperazin-1-yl)-3-pyridinyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide;3-[[4-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide;4-propan-2-yloxy-3-[[4-[6-[4-(3,3,3-trifluoropropyl)piperazin-1-yl]-3-pyridinyl]-1,3-thiazol-2-yl]amino]benzenesulfonamide?

The canonical SMILES for 3-[[4-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]-1,3-thiazol-2-yl]amino]-4-(2-methylpropyl)benzenesulfonamide;3-[[4-[6-(3,5-dimethylpiperazin-1-yl)-3-pyridinyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide;3-[[4-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide;4-propan-2-yloxy-3-[[4-[6-[4-(3,3,3-trifluoropropyl)piperazin-1-yl]-3-pyridinyl]-1,3-thiazol-2-yl]amino]benzenesulfonamide is CC(=O)N1CCN(c2ccc(-c3csc(Nc4cc(S(N)(=O)=O)ccc4CC(C)C)n3)cn2)CC1.CC(C)Oc1ccc(S(N)(=O)=O)cc1Nc1nc(-c2ccc(N3CCN(CCC(F)(F)F)CC3)nc2)cs1.CC(C)Oc1ccc(S(N)(=O)=O)cc1Nc1nc(-c2ccc(N3CCNC(=O)C3)nc2)cs1.CC1CN(c2ccc(-c3csc(Nc4cc(S(N)(=O)=O)ccc4OC(C)C)n3)cn2)CC(C)N1.

What is the InChIKey of 3-[[4-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]-1,3-thiazol-2-yl]amino]-4-(2-methylpropyl)benzenesulfonamide;3-[[4-[6-(3,5-dimethylpiperazin-1-yl)-3-pyridinyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide;3-[[4-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide;4-propan-2-yloxy-3-[[4-[6-[4-(3,3,3-trifluoropropyl)piperazin-1-yl]-3-pyridinyl]-1,3-thiazol-2-yl]amino]benzenesulfonamide?

The InChIKey is IDHUAJXDHHANNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29F3N6O3S2.C24H30N6O3S2.C23H30N6O3S2.C21H24N6O4S2/c1-16(2)36-21-5-4-18(38(28,34)35)13-19(21)30-23-31-20(15-37-23)17-3-6-22(29-14-17)33-11-9-32(10-12-33)8-7-24(25,26)27;1-16(2)12-18-4-6-20(35(25,32)33)13-21(18)27-24-28-22(15-34-24)19-5-7-23(26-14-19)30-10-8-29(9-11-30)17(3)31;1-14(2)32-21-7-6-18(34(24,30)31)9-19(21)27-23-28-20(13-33-23)17-5-8-22(25-10-17)29-11-15(3)26-16(4)12-29;1-13(2)31-18-5-4-15(33(22,29)30)9-16(18)25-21-26-17(12-32-21)14-3-6-19(24-10-14)27-8-7-23-20(28)11-27/h3-6,13-16H,7-12H2,1-2H3,(H,30,31)(H2,28,34,35);4-7,13-16H,8-12H2,1-3H3,(H,27,28)(H2,25,32,33);5-10,13-16,26H,11-12H2,1-4H3,(H,27,28)(H2,24,30,31);3-6,9-10,12-13H,7-8,11H2,1-2H3,(H,23,28)(H,25,26)(H2,22,29,30).

What are the key properties of 3-[[4-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]-1,3-thiazol-2-yl]amino]-4-(2-methylpropyl)benzenesulfonamide;3-[[4-[6-(3,5-dimethylpiperazin-1-yl)-3-pyridinyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide;3-[[4-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide;4-propan-2-yloxy-3-[[4-[6-[4-(3,3,3-trifluoropropyl)piperazin-1-yl]-3-pyridinyl]-1,3-thiazol-2-yl]amino]benzenesulfonamide?

3-[[4-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]-1,3-thiazol-2-yl]amino]-4-(2-methylpropyl)benzenesulfonamide;3-[[4-[6-(3,5-dimethylpiperazin-1-yl)-3-pyridinyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide;3-[[4-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide;4-propan-2-yloxy-3-[[4-[6-[4-(3,3,3-trifluoropropyl)piperazin-1-yl]-3-pyridinyl]-1,3-thiazol-2-yl]amino]benzenesulfonamide has a molecular weight of 2076.60 g/mol, XLogP of 13.81, 30 rotatable bonds, 10 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[4-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]-1,3-thiazol-2-yl]amino]-4-(2-methylpropyl)benzenesulfonamide;3-[[4-[6-(3,5-dimethylpiperazin-1-yl)-3-pyridinyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide;3-[[4-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide;4-propan-2-yloxy-3-[[4-[6-[4-(3,3,3-trifluoropropyl)piperazin-1-yl]-3-pyridinyl]-1,3-thiazol-2-yl]amino]benzenesulfonamide is sourced from PubChem (CID 158665599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).