1-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-2-[4-(dimethylamino)phenyl]ethanone;2-(4-chlorophenyl)-1-[4-(6-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone;N-(4-cyclopropyl-2-fluorophenyl)-4-(4-fluoro-6-methyl-1,3-benzothiazol-2-yl)piperazine-1-carboxamide;2-[4-(dimethylamino)phenyl]-1-[4-(4-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone;bis(2-[4-(dimethylamino)phenyl]-1-[4-(4-fluoro-6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone);4-(4-fluoro-6-methyl-1,3-benzothiazol-2-yl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide

C149H163ClF6N28O8S6 — CID 165072411

About 1-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-2-[4-(dimethylamino)phenyl]ethanone;2-(4-chlorophenyl)-1-[4-(6-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone;N-(4-cyclopropyl-2-fluorophenyl)-4-(4-fluoro-6-methyl-1,3-benzothiazol-2-yl)piperazine-1-carboxamide;2-[4-(dimethylamino)phenyl]-1-[4-(4-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone;bis(2-[4-(dimethylamino)phenyl]-1-[4-(4-fluoro-6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone);4-(4-fluoro-6-methyl-1,3-benzothiazol-2-yl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide

1-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-2-[4-(dimethylamino)phenyl]ethanone;2-(4-chlorophenyl)-1-[4-(6-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone;N-(4-cyclopropyl-2-fluorophenyl)-4-(4-fluoro-6-methyl-1,3-benzothiazol-2-yl)piperazine-1-carboxamide;2-[4-(dimethylamino)phenyl]-1-[4-(4-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone;bis(2-[4-(dimethylamino)phenyl]-1-[4-(4-fluoro-6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone);4-(4-fluoro-6-methyl-1,3-benzothiazol-2-yl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide (PubChem CID 165072411) has the molecular formula C149H163ClF6N28O8S6 and a molecular weight of 2815.97 g/mol. Its IUPAC name is 1-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-2-[4-(dimethylamino)phenyl]ethanone;2-(4-chlorophenyl)-1-[4-(6-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone;N-(4-cyclopropyl-2-fluorophenyl)-4-(4-fluoro-6-methyl-1,3-benzothiazol-2-yl)piperazine-1-carboxamide;2-[4-(dimethylamino)phenyl]-1-[4-(4-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone;bis(2-[4-(dimethylamino)phenyl]-1-[4-(4-fluoro-6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone);4-(4-fluoro-6-methyl-1,3-benzothiazol-2-yl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide.

Molecular Properties

• Compound Name: 1-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-2-[4-(dimethylamino)phenyl]ethanone;2-(4-chlorophenyl)-1-[4-(6-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone;N-(4-cyclopropyl-2-fluorophenyl)-4-(4-fluoro-6-methyl-1,3-benzothiazol-2-yl)piperazine-1-carboxamide;2-[4-(dimethylamino)phenyl]-1-[4-(4-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone;bis(2-[4-(dimethylamino)phenyl]-1-[4-(4-fluoro-6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone);4-(4-fluoro-6-methyl-1,3-benzothiazol-2-yl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide
• PubChem CID: 165072411
• Molecular Formula: C149H163ClF6N28O8S6
• Molecular Weight: 2815.97 g/mol
• Exact Mass: 2813.11
• IUPAC Name: 1-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-2-[4-(dimethylamino)phenyl]ethanone;2-(4-chlorophenyl)-1-[4-(6-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone;N-(4-cyclopropyl-2-fluorophenyl)-4-(4-fluoro-6-methyl-1,3-benzothiazol-2-yl)piperazine-1-carboxamide;2-[4-(dimethylamino)phenyl]-1-[4-(4-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone;bis(2-[4-(dimethylamino)phenyl]-1-[4-(4-fluoro-6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone);4-(4-fluoro-6-methyl-1,3-benzothiazol-2-yl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide
• SMILES: CN(C)c1ccc(CC(=O)N2CCN(c3nc4c(F)cccc4s3)CC2)cc1.CN(C)c1ccc(CC(=O)N2CCN(c3nc4ccccc4s3)CC2)cc1.Cc1cc(F)c2nc(N3CCN(C(=O)Cc4ccc(N(C)C)cc4)CC3)sc2c1.Cc1cc(F)c2nc(N3CCN(C(=O)Cc4ccc(N(C)C)cc4)CC3)sc2c1.Cc1cc(F)c2nc(N3CCN(C(=O)Nc4ccc(C(C)C)cc4)CC3)sc2c1.Cc1cc(F)c2nc(N3CCN(C(=O)Nc4ccc(C5CC5)cc4F)CC3)sc2c1.Cc1cnc2nc(N3CCN(C(=O)Cc4ccc(Cl)cc4)CC3)oc2c1
• InChI: InChI=1S/C22H22F2N4OS.3C22H25FN4OS.C21H23FN4OS.C21H24N4OS.C19H19ClN4O2/c1-13-10-17(24)20-19(11-13)30-22(26-20)28-8-6-27(7-9-28)21(29)25-18-5-4-15(12-16(18)23)14-2-3-14;2*1-15-12-18(23)21-19(13-15)29-22(24-21)27-10-8-26(9-11-27)20(28)14-16-4-6-17(7-5-16)25(2)3;1-14(2)16-4-6-17(7-5-16)24-21(28)26-8-10-27(11-9-26)22-25-20-18(23)12-15(3)13-19(20)29-22;1-24(2)16-8-6-15(7-9-16)14-19(27)25-10-12-26(13-11-25)21-23-20-17(22)4-3-5-18(20)28-21;1-23(2)17-9-7-16(8-10-17)15-20(26)24-11-13-25(14-12-24)21-22-18-5-3-4-6-19(18)27-21;1-13-10-16-18(21-12-13)22-19(26-16)24-8-6-23(7-9-24)17(25)11-14-2-4-15(20)5-3-14/h4-5,10-12,14H,2-3,6-9H2,1H3,(H,25,29);2*4-7,12-13H,8-11,14H2,1-3H3;4-7,12-14H,8-11H2,1-3H3,(H,24,28);3-9H,10-14H2,1-2H3;3-10H,11-15H2,1-2H3;2-5,10,12H,6-9,11H2,1H3
• InChIKey: SZIJDHBCMMYSAX-UHFFFAOYSA-N
• XLogP: 27.46
• TPSA: 318.13 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 33
• Rotatable Bonds: 25
• Heavy Atoms: 198
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2815.97
LogP ≤ 5	27.46
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-2-[4-(dimethylamino)phenyl]ethanone;2-(4-chlorophenyl)-1-[4-(6-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone;N-(4-cyclopropyl-2-fluorophenyl)-4-(4-fluoro-6-methyl-1,3-benzothiazol-2-yl)piperazine-1-carboxamide;2-[4-(dimethylamino)phenyl]-1-[4-(4-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone;bis(2-[4-(dimethylamino)phenyl]-1-[4-(4-fluoro-6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone);4-(4-fluoro-6-methyl-1,3-benzothiazol-2-yl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide?

The IUPAC name of 1-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-2-[4-(dimethylamino)phenyl]ethanone;2-(4-chlorophenyl)-1-[4-(6-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone;N-(4-cyclopropyl-2-fluorophenyl)-4-(4-fluoro-6-methyl-1,3-benzothiazol-2-yl)piperazine-1-carboxamide;2-[4-(dimethylamino)phenyl]-1-[4-(4-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone;bis(2-[4-(dimethylamino)phenyl]-1-[4-(4-fluoro-6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone);4-(4-fluoro-6-methyl-1,3-benzothiazol-2-yl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide (CID 165072411) is 1-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-2-[4-(dimethylamino)phenyl]ethanone;2-(4-chlorophenyl)-1-[4-(6-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone;N-(4-cyclopropyl-2-fluorophenyl)-4-(4-fluoro-6-methyl-1,3-benzothiazol-2-yl)piperazine-1-carboxamide;2-[4-(dimethylamino)phenyl]-1-[4-(4-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone;bis(2-[4-(dimethylamino)phenyl]-1-[4-(4-fluoro-6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone);4-(4-fluoro-6-methyl-1,3-benzothiazol-2-yl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide.

What is the SMILES notation for 1-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-2-[4-(dimethylamino)phenyl]ethanone;2-(4-chlorophenyl)-1-[4-(6-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone;N-(4-cyclopropyl-2-fluorophenyl)-4-(4-fluoro-6-methyl-1,3-benzothiazol-2-yl)piperazine-1-carboxamide;2-[4-(dimethylamino)phenyl]-1-[4-(4-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone;bis(2-[4-(dimethylamino)phenyl]-1-[4-(4-fluoro-6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone);4-(4-fluoro-6-methyl-1,3-benzothiazol-2-yl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide?

The canonical SMILES for 1-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-2-[4-(dimethylamino)phenyl]ethanone;2-(4-chlorophenyl)-1-[4-(6-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone;N-(4-cyclopropyl-2-fluorophenyl)-4-(4-fluoro-6-methyl-1,3-benzothiazol-2-yl)piperazine-1-carboxamide;2-[4-(dimethylamino)phenyl]-1-[4-(4-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone;bis(2-[4-(dimethylamino)phenyl]-1-[4-(4-fluoro-6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone);4-(4-fluoro-6-methyl-1,3-benzothiazol-2-yl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide is CN(C)c1ccc(CC(=O)N2CCN(c3nc4c(F)cccc4s3)CC2)cc1.CN(C)c1ccc(CC(=O)N2CCN(c3nc4ccccc4s3)CC2)cc1.Cc1cc(F)c2nc(N3CCN(C(=O)Cc4ccc(N(C)C)cc4)CC3)sc2c1.Cc1cc(F)c2nc(N3CCN(C(=O)Cc4ccc(N(C)C)cc4)CC3)sc2c1.Cc1cc(F)c2nc(N3CCN(C(=O)Nc4ccc(C(C)C)cc4)CC3)sc2c1.Cc1cc(F)c2nc(N3CCN(C(=O)Nc4ccc(C5CC5)cc4F)CC3)sc2c1.Cc1cnc2nc(N3CCN(C(=O)Cc4ccc(Cl)cc4)CC3)oc2c1.

What is the InChIKey of 1-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-2-[4-(dimethylamino)phenyl]ethanone;2-(4-chlorophenyl)-1-[4-(6-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone;N-(4-cyclopropyl-2-fluorophenyl)-4-(4-fluoro-6-methyl-1,3-benzothiazol-2-yl)piperazine-1-carboxamide;2-[4-(dimethylamino)phenyl]-1-[4-(4-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone;bis(2-[4-(dimethylamino)phenyl]-1-[4-(4-fluoro-6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone);4-(4-fluoro-6-methyl-1,3-benzothiazol-2-yl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide?

The InChIKey is SZIJDHBCMMYSAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F2N4OS.3C22H25FN4OS.C21H23FN4OS.C21H24N4OS.C19H19ClN4O2/c1-13-10-17(24)20-19(11-13)30-22(26-20)28-8-6-27(7-9-28)21(29)25-18-5-4-15(12-16(18)23)14-2-3-14;2*1-15-12-18(23)21-19(13-15)29-22(24-21)27-10-8-26(9-11-27)20(28)14-16-4-6-17(7-5-16)25(2)3;1-14(2)16-4-6-17(7-5-16)24-21(28)26-8-10-27(11-9-26)22-25-20-18(23)12-15(3)13-19(20)29-22;1-24(2)16-8-6-15(7-9-16)14-19(27)25-10-12-26(13-11-25)21-23-20-17(22)4-3-5-18(20)28-21;1-23(2)17-9-7-16(8-10-17)15-20(26)24-11-13-25(14-12-24)21-22-18-5-3-4-6-19(18)27-21;1-13-10-16-18(21-12-13)22-19(26-16)24-8-6-23(7-9-24)17(25)11-14-2-4-15(20)5-3-14/h4-5,10-12,14H,2-3,6-9H2,1H3,(H,25,29);2*4-7,12-13H,8-11,14H2,1-3H3;4-7,12-14H,8-11H2,1-3H3,(H,24,28);3-9H,10-14H2,1-2H3;3-10H,11-15H2,1-2H3;2-5,10,12H,6-9,11H2,1H3.

What are the key properties of 1-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-2-[4-(dimethylamino)phenyl]ethanone;2-(4-chlorophenyl)-1-[4-(6-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone;N-(4-cyclopropyl-2-fluorophenyl)-4-(4-fluoro-6-methyl-1,3-benzothiazol-2-yl)piperazine-1-carboxamide;2-[4-(dimethylamino)phenyl]-1-[4-(4-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone;bis(2-[4-(dimethylamino)phenyl]-1-[4-(4-fluoro-6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone);4-(4-fluoro-6-methyl-1,3-benzothiazol-2-yl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide?

1-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-2-[4-(dimethylamino)phenyl]ethanone;2-(4-chlorophenyl)-1-[4-(6-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone;N-(4-cyclopropyl-2-fluorophenyl)-4-(4-fluoro-6-methyl-1,3-benzothiazol-2-yl)piperazine-1-carboxamide;2-[4-(dimethylamino)phenyl]-1-[4-(4-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone;bis(2-[4-(dimethylamino)phenyl]-1-[4-(4-fluoro-6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone);4-(4-fluoro-6-methyl-1,3-benzothiazol-2-yl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide has a molecular weight of 2815.97 g/mol, XLogP of 27.46, 25 rotatable bonds, 2 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-2-[4-(dimethylamino)phenyl]ethanone;2-(4-chlorophenyl)-1-[4-(6-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone;N-(4-cyclopropyl-2-fluorophenyl)-4-(4-fluoro-6-methyl-1,3-benzothiazol-2-yl)piperazine-1-carboxamide;2-[4-(dimethylamino)phenyl]-1-[4-(4-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone;bis(2-[4-(dimethylamino)phenyl]-1-[4-(4-fluoro-6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone);4-(4-fluoro-6-methyl-1,3-benzothiazol-2-yl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 165072411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).