3-[[4-[4-(4-benzylpiperazin-1-yl)phenyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-[4-(4-benzylpiperazin-1-yl)phenyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide;3-[[4-[4-(cyclohexen-1-yl)phenyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide;4-propan-2-yloxy-3-[[4-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-1,3-thiazol-2-yl]amino]benzamide;4-propan-2-yloxy-3-[[4-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-1,3-thiazol-2-yl]amino]benzenesulfonamide

C134H159N23O13S8 — CID 158707621

About 3-[[4-[4-(4-benzylpiperazin-1-yl)phenyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-[4-(4-benzylpiperazin-1-yl)phenyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide;3-[[4-[4-(cyclohexen-1-yl)phenyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide;4-propan-2-yloxy-3-[[4-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-1,3-thiazol-2-yl]amino]benzamide;4-propan-2-yloxy-3-[[4-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-1,3-thiazol-2-yl]amino]benzenesulfonamide

3-[[4-[4-(4-benzylpiperazin-1-yl)phenyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-[4-(4-benzylpiperazin-1-yl)phenyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide;3-[[4-[4-(cyclohexen-1-yl)phenyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide;4-propan-2-yloxy-3-[[4-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-1,3-thiazol-2-yl]amino]benzamide;4-propan-2-yloxy-3-[[4-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-1,3-thiazol-2-yl]amino]benzenesulfonamide (PubChem CID 158707621) has the molecular formula C134H159N23O13S8 and a molecular weight of 2556.43 g/mol. Its IUPAC name is 3-[[4-[4-(4-benzylpiperazin-1-yl)phenyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-[4-(4-benzylpiperazin-1-yl)phenyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide;3-[[4-[4-(cyclohexen-1-yl)phenyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide;4-propan-2-yloxy-3-[[4-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-1,3-thiazol-2-yl]amino]benzamide;4-propan-2-yloxy-3-[[4-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-1,3-thiazol-2-yl]amino]benzenesulfonamide.

Molecular Properties

• Compound Name: 3-[[4-[4-(4-benzylpiperazin-1-yl)phenyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-[4-(4-benzylpiperazin-1-yl)phenyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide;3-[[4-[4-(cyclohexen-1-yl)phenyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide;4-propan-2-yloxy-3-[[4-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-1,3-thiazol-2-yl]amino]benzamide;4-propan-2-yloxy-3-[[4-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-1,3-thiazol-2-yl]amino]benzenesulfonamide
• PubChem CID: 158707621
• Molecular Formula: C134H159N23O13S8
• Molecular Weight: 2556.43 g/mol
• Exact Mass: 2554.03
• IUPAC Name: 3-[[4-[4-(4-benzylpiperazin-1-yl)phenyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-[4-(4-benzylpiperazin-1-yl)phenyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide;3-[[4-[4-(cyclohexen-1-yl)phenyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide;4-propan-2-yloxy-3-[[4-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-1,3-thiazol-2-yl]amino]benzamide;4-propan-2-yloxy-3-[[4-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-1,3-thiazol-2-yl]amino]benzenesulfonamide
• SMILES: CC(C)Oc1ccc(C(N)=O)cc1Nc1nc(-c2ccc(N3CCN(C(C)C)CC3)cc2)cs1.CC(C)Oc1ccc(C(N)=O)cc1Nc1nc(-c2ccc(N3CCN(Cc4ccccc4)CC3)cc2)cs1.CC(C)Oc1ccc(S(N)(=O)=O)cc1Nc1nc(-c2ccc(C3=CCCCC3)cc2)cs1.CC(C)Oc1ccc(S(N)(=O)=O)cc1Nc1nc(-c2ccc(N3CCN(C(C)C)CC3)cc2)cs1.CC(C)Oc1ccc(S(N)(=O)=O)cc1Nc1nc(-c2ccc(N3CCN(Cc4ccccc4)CC3)cc2)cs1
• InChI: InChI=1S/C30H33N5O2S.C29H33N5O3S2.C26H33N5O2S.C25H33N5O3S2.C24H27N3O3S2/c1-21(2)37-28-13-10-24(29(31)36)18-26(28)32-30-33-27(20-38-30)23-8-11-25(12-9-23)35-16-14-34(15-17-35)19-22-6-4-3-5-7-22;1-21(2)37-28-13-12-25(39(30,35)36)18-26(28)31-29-32-27(20-38-29)23-8-10-24(11-9-23)34-16-14-33(15-17-34)19-22-6-4-3-5-7-22;1-17(2)30-11-13-31(14-12-30)21-8-5-19(6-9-21)23-16-34-26(29-23)28-22-15-20(25(27)32)7-10-24(22)33-18(3)4;1-17(2)29-11-13-30(14-12-29)20-7-5-19(6-8-20)23-16-34-25(28-23)27-22-15-21(35(26,31)32)9-10-24(22)33-18(3)4;1-16(2)30-23-13-12-20(32(25,28)29)14-21(23)26-24-27-22(15-31-24)19-10-8-18(9-11-19)17-6-4-3-5-7-17/h3-13,18,20-21H,14-17,19H2,1-2H3,(H2,31,36)(H,32,33);3-13,18,20-21H,14-17,19H2,1-2H3,(H,31,32)(H2,30,35,36);5-10,15-18H,11-14H2,1-4H3,(H2,27,32)(H,28,29);5-10,15-18H,11-14H2,1-4H3,(H,27,28)(H2,26,31,32);6,8-16H,3-5,7H2,1-2H3,(H,26,27)(H2,25,28,29)
• InChIKey: IIHVEPDFUUITRZ-UHFFFAOYSA-N
• XLogP: 26.51
• TPSA: 463.33 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 36
• Rotatable Bonds: 41
• Heavy Atoms: 178
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2556.43
LogP ≤ 5	26.51
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	36

Frequently Asked Questions

What is the IUPAC name of 3-[[4-[4-(4-benzylpiperazin-1-yl)phenyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-[4-(4-benzylpiperazin-1-yl)phenyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide;3-[[4-[4-(cyclohexen-1-yl)phenyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide;4-propan-2-yloxy-3-[[4-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-1,3-thiazol-2-yl]amino]benzamide;4-propan-2-yloxy-3-[[4-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-1,3-thiazol-2-yl]amino]benzenesulfonamide?

The IUPAC name of 3-[[4-[4-(4-benzylpiperazin-1-yl)phenyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-[4-(4-benzylpiperazin-1-yl)phenyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide;3-[[4-[4-(cyclohexen-1-yl)phenyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide;4-propan-2-yloxy-3-[[4-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-1,3-thiazol-2-yl]amino]benzamide;4-propan-2-yloxy-3-[[4-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-1,3-thiazol-2-yl]amino]benzenesulfonamide (CID 158707621) is 3-[[4-[4-(4-benzylpiperazin-1-yl)phenyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-[4-(4-benzylpiperazin-1-yl)phenyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide;3-[[4-[4-(cyclohexen-1-yl)phenyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide;4-propan-2-yloxy-3-[[4-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-1,3-thiazol-2-yl]amino]benzamide;4-propan-2-yloxy-3-[[4-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-1,3-thiazol-2-yl]amino]benzenesulfonamide.

What is the SMILES notation for 3-[[4-[4-(4-benzylpiperazin-1-yl)phenyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-[4-(4-benzylpiperazin-1-yl)phenyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide;3-[[4-[4-(cyclohexen-1-yl)phenyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide;4-propan-2-yloxy-3-[[4-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-1,3-thiazol-2-yl]amino]benzamide;4-propan-2-yloxy-3-[[4-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-1,3-thiazol-2-yl]amino]benzenesulfonamide?

The canonical SMILES for 3-[[4-[4-(4-benzylpiperazin-1-yl)phenyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-[4-(4-benzylpiperazin-1-yl)phenyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide;3-[[4-[4-(cyclohexen-1-yl)phenyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide;4-propan-2-yloxy-3-[[4-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-1,3-thiazol-2-yl]amino]benzamide;4-propan-2-yloxy-3-[[4-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-1,3-thiazol-2-yl]amino]benzenesulfonamide is CC(C)Oc1ccc(C(N)=O)cc1Nc1nc(-c2ccc(N3CCN(C(C)C)CC3)cc2)cs1.CC(C)Oc1ccc(C(N)=O)cc1Nc1nc(-c2ccc(N3CCN(Cc4ccccc4)CC3)cc2)cs1.CC(C)Oc1ccc(S(N)(=O)=O)cc1Nc1nc(-c2ccc(C3=CCCCC3)cc2)cs1.CC(C)Oc1ccc(S(N)(=O)=O)cc1Nc1nc(-c2ccc(N3CCN(C(C)C)CC3)cc2)cs1.CC(C)Oc1ccc(S(N)(=O)=O)cc1Nc1nc(-c2ccc(N3CCN(Cc4ccccc4)CC3)cc2)cs1.

What is the InChIKey of 3-[[4-[4-(4-benzylpiperazin-1-yl)phenyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-[4-(4-benzylpiperazin-1-yl)phenyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide;3-[[4-[4-(cyclohexen-1-yl)phenyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide;4-propan-2-yloxy-3-[[4-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-1,3-thiazol-2-yl]amino]benzamide;4-propan-2-yloxy-3-[[4-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-1,3-thiazol-2-yl]amino]benzenesulfonamide?

The InChIKey is IIHVEPDFUUITRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N5O2S.C29H33N5O3S2.C26H33N5O2S.C25H33N5O3S2.C24H27N3O3S2/c1-21(2)37-28-13-10-24(29(31)36)18-26(28)32-30-33-27(20-38-30)23-8-11-25(12-9-23)35-16-14-34(15-17-35)19-22-6-4-3-5-7-22;1-21(2)37-28-13-12-25(39(30,35)36)18-26(28)31-29-32-27(20-38-29)23-8-10-24(11-9-23)34-16-14-33(15-17-34)19-22-6-4-3-5-7-22;1-17(2)30-11-13-31(14-12-30)21-8-5-19(6-9-21)23-16-34-26(29-23)28-22-15-20(25(27)32)7-10-24(22)33-18(3)4;1-17(2)29-11-13-30(14-12-29)20-7-5-19(6-8-20)23-16-34-25(28-23)27-22-15-21(35(26,31)32)9-10-24(22)33-18(3)4;1-16(2)30-23-13-12-20(32(25,28)29)14-21(23)26-24-27-22(15-31-24)19-10-8-18(9-11-19)17-6-4-3-5-7-17/h3-13,18,20-21H,14-17,19H2,1-2H3,(H2,31,36)(H,32,33);3-13,18,20-21H,14-17,19H2,1-2H3,(H,31,32)(H2,30,35,36);5-10,15-18H,11-14H2,1-4H3,(H2,27,32)(H,28,29);5-10,15-18H,11-14H2,1-4H3,(H,27,28)(H2,26,31,32);6,8-16H,3-5,7H2,1-2H3,(H,26,27)(H2,25,28,29).

What are the key properties of 3-[[4-[4-(4-benzylpiperazin-1-yl)phenyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-[4-(4-benzylpiperazin-1-yl)phenyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide;3-[[4-[4-(cyclohexen-1-yl)phenyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide;4-propan-2-yloxy-3-[[4-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-1,3-thiazol-2-yl]amino]benzamide;4-propan-2-yloxy-3-[[4-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-1,3-thiazol-2-yl]amino]benzenesulfonamide?

3-[[4-[4-(4-benzylpiperazin-1-yl)phenyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-[4-(4-benzylpiperazin-1-yl)phenyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide;3-[[4-[4-(cyclohexen-1-yl)phenyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide;4-propan-2-yloxy-3-[[4-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-1,3-thiazol-2-yl]amino]benzamide;4-propan-2-yloxy-3-[[4-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-1,3-thiazol-2-yl]amino]benzenesulfonamide has a molecular weight of 2556.43 g/mol, XLogP of 26.51, 41 rotatable bonds, 10 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[4-[4-(4-benzylpiperazin-1-yl)phenyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-[4-(4-benzylpiperazin-1-yl)phenyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide;3-[[4-[4-(cyclohexen-1-yl)phenyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide;4-propan-2-yloxy-3-[[4-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-1,3-thiazol-2-yl]amino]benzamide;4-propan-2-yloxy-3-[[4-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-1,3-thiazol-2-yl]amino]benzenesulfonamide is sourced from PubChem (CID 158707621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).