1-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-3-[3-fluoro-4-[4-[4-(pentafluoro-λ6-sulfanyl)phenyl]-1,4-diazepan-1-yl]phenyl]propan-1-one;1-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-3-[3-fluoro-4-[4-[4-(pentafluoro-λ6-sulfanyl)phenyl]piperazin-1-yl]phenyl]propan-1-one;1-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-3-(3-fluoro-4-thiomorpholin-4-ylphenyl)propan-1-one;1-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-3-[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]propan-1-one;1-(6-ethyl-2-methylimidazo[2,1-b][1,3]thiazol-5-yl)-3-[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]propan-1-one

C130H134F19N17O7S8 — CID 159547204

About 1-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-3-[3-fluoro-4-[4-[4-(pentafluoro-λ6-sulfanyl)phenyl]-1,4-diazepan-1-yl]phenyl]propan-1-one;1-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-3-[3-fluoro-4-[4-[4-(pentafluoro-λ6-sulfanyl)phenyl]piperazin-1-yl]phenyl]propan-1-one;1-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-3-(3-fluoro-4-thiomorpholin-4-ylphenyl)propan-1-one;1-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-3-[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]propan-1-one;1-(6-ethyl-2-methylimidazo[2,1-b][1,3]thiazol-5-yl)-3-[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]propan-1-one

1-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-3-[3-fluoro-4-[4-[4-(pentafluoro-λ6-sulfanyl)phenyl]-1,4-diazepan-1-yl]phenyl]propan-1-one;1-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-3-[3-fluoro-4-[4-[4-(pentafluoro-λ6-sulfanyl)phenyl]piperazin-1-yl]phenyl]propan-1-one;1-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-3-(3-fluoro-4-thiomorpholin-4-ylphenyl)propan-1-one;1-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-3-[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]propan-1-one;1-(6-ethyl-2-methylimidazo[2,1-b][1,3]thiazol-5-yl)-3-[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]propan-1-one (PubChem CID 159547204) has the molecular formula C130H134F19N17O7S8 and a molecular weight of 2664.11 g/mol. Its IUPAC name is 1-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-3-[3-fluoro-4-[4-[4-(pentafluoro-λ6-sulfanyl)phenyl]-1,4-diazepan-1-yl]phenyl]propan-1-one;1-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-3-[3-fluoro-4-[4-[4-(pentafluoro-λ6-sulfanyl)phenyl]piperazin-1-yl]phenyl]propan-1-one;1-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-3-(3-fluoro-4-thiomorpholin-4-ylphenyl)propan-1-one;1-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-3-[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]propan-1-one;1-(6-ethyl-2-methylimidazo[2,1-b][1,3]thiazol-5-yl)-3-[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]propan-1-one.

Molecular Properties

• Compound Name: 1-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-3-[3-fluoro-4-[4-[4-(pentafluoro-λ6-sulfanyl)phenyl]-1,4-diazepan-1-yl]phenyl]propan-1-one;1-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-3-[3-fluoro-4-[4-[4-(pentafluoro-λ6-sulfanyl)phenyl]piperazin-1-yl]phenyl]propan-1-one;1-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-3-(3-fluoro-4-thiomorpholin-4-ylphenyl)propan-1-one;1-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-3-[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]propan-1-one;1-(6-ethyl-2-methylimidazo[2,1-b][1,3]thiazol-5-yl)-3-[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]propan-1-one
• PubChem CID: 159547204
• Molecular Formula: C130H134F19N17O7S8
• Molecular Weight: 2664.11 g/mol
• Exact Mass: 2661.81
• IUPAC Name: 1-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-3-[3-fluoro-4-[4-[4-(pentafluoro-λ6-sulfanyl)phenyl]-1,4-diazepan-1-yl]phenyl]propan-1-one;1-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-3-[3-fluoro-4-[4-[4-(pentafluoro-λ6-sulfanyl)phenyl]piperazin-1-yl]phenyl]propan-1-one;1-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-3-(3-fluoro-4-thiomorpholin-4-ylphenyl)propan-1-one;1-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-3-[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]propan-1-one;1-(6-ethyl-2-methylimidazo[2,1-b][1,3]thiazol-5-yl)-3-[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]propan-1-one
• SMILES: CCc1nc2sc(C)cn2c1C(=O)CCc1ccc(N2CCC(c3ccc(OC(F)(F)F)cc3)CC2)cc1.Cc1cn2c(C(=O)CCc3ccc(N4CCC(c5ccc(OC(F)(F)F)cc5)CC4)cc3)c(C)nc2s1.Cc1cn2c(C(=O)CCc3ccc(N4CCCN(c5ccc(S(F)(F)(F)(F)F)cc5)CC4)c(F)c3)c(C)nc2s1.Cc1cn2c(C(=O)CCc3ccc(N4CCN(c5ccc(S(F)(F)(F)(F)F)cc5)CC4)c(F)c3)c(C)nc2s1.Cc1cn2c(C(=O)CCc3ccc(N4CCSCC4)c(F)c3)c(C)nc2s1
• InChI: InChI=1S/C29H30F3N3O2S.C28H28F3N3O2S.C27H28F6N4OS2.C26H26F6N4OS2.C20H22FN3OS2/c1-3-25-27(35-18-19(2)38-28(35)33-25)26(36)13-6-20-4-9-23(10-5-20)34-16-14-22(15-17-34)21-7-11-24(12-8-21)37-29(30,31)32;1-18-17-34-26(19(2)32-27(34)37-18)25(35)12-5-20-3-8-23(9-4-20)33-15-13-22(14-16-33)21-6-10-24(11-7-21)36-28(29,30)31;1-18-17-37-26(19(2)34-27(37)39-18)25(38)11-5-20-4-10-24(23(28)16-20)36-13-3-12-35(14-15-36)21-6-8-22(9-7-21)40(29,30,31,32)33;1-17-16-36-25(18(2)33-26(36)38-17)24(37)10-4-19-3-9-23(22(27)15-19)35-13-11-34(12-14-35)20-5-7-21(8-6-20)39(28,29,30,31)32;1-13-12-24-19(14(2)22-20(24)27-13)18(25)6-4-15-3-5-17(16(21)11-15)23-7-9-26-10-8-23/h4-5,7-12,18,22H,3,6,13-17H2,1-2H3;3-4,6-11,17,22H,5,12-16H2,1-2H3;4,6-10,16-17H,3,5,11-15H2,1-2H3;3,5-9,15-16H,4,10-14H2,1-2H3;3,5,11-12H,4,6-10H2,1-2H3
• InChIKey: MEYIMPWBFOBMEL-UHFFFAOYSA-N
• XLogP: 35.29
• TPSA: 212.99 Ų
• H-Bond Acceptors: 30
• Rotatable Bonds: 34
• Heavy Atoms: 181
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2664.11
LogP ≤ 5	35.29
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	30

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-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-3-[3-fluoro-4-[4-[4-(pentafluoro-λ6-sulfanyl)phenyl]-1,4-diazepan-1-yl]phenyl]propan-1-one;1-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-3-[3-fluoro-4-[4-[4-(pentafluoro-λ6-sulfanyl)phenyl]piperazin-1-yl]phenyl]propan-1-one;1-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-3-(3-fluoro-4-thiomorpholin-4-ylphenyl)propan-1-one;1-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-3-[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]propan-1-one;1-(6-ethyl-2-methylimidazo[2,1-b][1,3]thiazol-5-yl)-3-[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]propan-1-one?

The IUPAC name of 1-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-3-[3-fluoro-4-[4-[4-(pentafluoro-λ6-sulfanyl)phenyl]-1,4-diazepan-1-yl]phenyl]propan-1-one;1-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-3-[3-fluoro-4-[4-[4-(pentafluoro-λ6-sulfanyl)phenyl]piperazin-1-yl]phenyl]propan-1-one;1-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-3-(3-fluoro-4-thiomorpholin-4-ylphenyl)propan-1-one;1-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-3-[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]propan-1-one;1-(6-ethyl-2-methylimidazo[2,1-b][1,3]thiazol-5-yl)-3-[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]propan-1-one (CID 159547204) is 1-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-3-[3-fluoro-4-[4-[4-(pentafluoro-λ6-sulfanyl)phenyl]-1,4-diazepan-1-yl]phenyl]propan-1-one;1-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-3-[3-fluoro-4-[4-[4-(pentafluoro-λ6-sulfanyl)phenyl]piperazin-1-yl]phenyl]propan-1-one;1-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-3-(3-fluoro-4-thiomorpholin-4-ylphenyl)propan-1-one;1-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-3-[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]propan-1-one;1-(6-ethyl-2-methylimidazo[2,1-b][1,3]thiazol-5-yl)-3-[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]propan-1-one.

What is the SMILES notation for 1-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-3-[3-fluoro-4-[4-[4-(pentafluoro-λ6-sulfanyl)phenyl]-1,4-diazepan-1-yl]phenyl]propan-1-one;1-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-3-[3-fluoro-4-[4-[4-(pentafluoro-λ6-sulfanyl)phenyl]piperazin-1-yl]phenyl]propan-1-one;1-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-3-(3-fluoro-4-thiomorpholin-4-ylphenyl)propan-1-one;1-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-3-[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]propan-1-one;1-(6-ethyl-2-methylimidazo[2,1-b][1,3]thiazol-5-yl)-3-[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]propan-1-one?

The canonical SMILES for 1-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-3-[3-fluoro-4-[4-[4-(pentafluoro-λ6-sulfanyl)phenyl]-1,4-diazepan-1-yl]phenyl]propan-1-one;1-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-3-[3-fluoro-4-[4-[4-(pentafluoro-λ6-sulfanyl)phenyl]piperazin-1-yl]phenyl]propan-1-one;1-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-3-(3-fluoro-4-thiomorpholin-4-ylphenyl)propan-1-one;1-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-3-[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]propan-1-one;1-(6-ethyl-2-methylimidazo[2,1-b][1,3]thiazol-5-yl)-3-[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]propan-1-one is CCc1nc2sc(C)cn2c1C(=O)CCc1ccc(N2CCC(c3ccc(OC(F)(F)F)cc3)CC2)cc1.Cc1cn2c(C(=O)CCc3ccc(N4CCC(c5ccc(OC(F)(F)F)cc5)CC4)cc3)c(C)nc2s1.Cc1cn2c(C(=O)CCc3ccc(N4CCCN(c5ccc(S(F)(F)(F)(F)F)cc5)CC4)c(F)c3)c(C)nc2s1.Cc1cn2c(C(=O)CCc3ccc(N4CCN(c5ccc(S(F)(F)(F)(F)F)cc5)CC4)c(F)c3)c(C)nc2s1.Cc1cn2c(C(=O)CCc3ccc(N4CCSCC4)c(F)c3)c(C)nc2s1.

What is the InChIKey of 1-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-3-[3-fluoro-4-[4-[4-(pentafluoro-λ6-sulfanyl)phenyl]-1,4-diazepan-1-yl]phenyl]propan-1-one;1-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-3-[3-fluoro-4-[4-[4-(pentafluoro-λ6-sulfanyl)phenyl]piperazin-1-yl]phenyl]propan-1-one;1-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-3-(3-fluoro-4-thiomorpholin-4-ylphenyl)propan-1-one;1-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-3-[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]propan-1-one;1-(6-ethyl-2-methylimidazo[2,1-b][1,3]thiazol-5-yl)-3-[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]propan-1-one?

The InChIKey is MEYIMPWBFOBMEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30F3N3O2S.C28H28F3N3O2S.C27H28F6N4OS2.C26H26F6N4OS2.C20H22FN3OS2/c1-3-25-27(35-18-19(2)38-28(35)33-25)26(36)13-6-20-4-9-23(10-5-20)34-16-14-22(15-17-34)21-7-11-24(12-8-21)37-29(30,31)32;1-18-17-34-26(19(2)32-27(34)37-18)25(35)12-5-20-3-8-23(9-4-20)33-15-13-22(14-16-33)21-6-10-24(11-7-21)36-28(29,30)31;1-18-17-37-26(19(2)34-27(37)39-18)25(38)11-5-20-4-10-24(23(28)16-20)36-13-3-12-35(14-15-36)21-6-8-22(9-7-21)40(29,30,31,32)33;1-17-16-36-25(18(2)33-26(36)38-17)24(37)10-4-19-3-9-23(22(27)15-19)35-13-11-34(12-14-35)20-5-7-21(8-6-20)39(28,29,30,31)32;1-13-12-24-19(14(2)22-20(24)27-13)18(25)6-4-15-3-5-17(16(21)11-15)23-7-9-26-10-8-23/h4-5,7-12,18,22H,3,6,13-17H2,1-2H3;3-4,6-11,17,22H,5,12-16H2,1-2H3;4,6-10,16-17H,3,5,11-15H2,1-2H3;3,5-9,15-16H,4,10-14H2,1-2H3;3,5,11-12H,4,6-10H2,1-2H3.

What are the key properties of 1-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-3-[3-fluoro-4-[4-[4-(pentafluoro-λ6-sulfanyl)phenyl]-1,4-diazepan-1-yl]phenyl]propan-1-one;1-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-3-[3-fluoro-4-[4-[4-(pentafluoro-λ6-sulfanyl)phenyl]piperazin-1-yl]phenyl]propan-1-one;1-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-3-(3-fluoro-4-thiomorpholin-4-ylphenyl)propan-1-one;1-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-3-[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]propan-1-one;1-(6-ethyl-2-methylimidazo[2,1-b][1,3]thiazol-5-yl)-3-[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]propan-1-one?

1-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-3-[3-fluoro-4-[4-[4-(pentafluoro-λ6-sulfanyl)phenyl]-1,4-diazepan-1-yl]phenyl]propan-1-one;1-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-3-[3-fluoro-4-[4-[4-(pentafluoro-λ6-sulfanyl)phenyl]piperazin-1-yl]phenyl]propan-1-one;1-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-3-(3-fluoro-4-thiomorpholin-4-ylphenyl)propan-1-one;1-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-3-[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]propan-1-one;1-(6-ethyl-2-methylimidazo[2,1-b][1,3]thiazol-5-yl)-3-[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]propan-1-one has a molecular weight of 2664.11 g/mol, XLogP of 35.29, 34 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-3-[3-fluoro-4-[4-[4-(pentafluoro-λ6-sulfanyl)phenyl]-1,4-diazepan-1-yl]phenyl]propan-1-one;1-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-3-[3-fluoro-4-[4-[4-(pentafluoro-λ6-sulfanyl)phenyl]piperazin-1-yl]phenyl]propan-1-one;1-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-3-(3-fluoro-4-thiomorpholin-4-ylphenyl)propan-1-one;1-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-3-[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]propan-1-one;1-(6-ethyl-2-methylimidazo[2,1-b][1,3]thiazol-5-yl)-3-[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]propan-1-one is sourced from PubChem (CID 159547204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).