N-(5-diethoxyphosphoryl-2-methoxyphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;4-(1,1-difluoroethoxy)-3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzamide;4-(1,1-difluoroethoxy)-3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzenesulfonamide;N-(2-ethylphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(5-ethylsulfonyl-2-methoxyphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(5-fluoro-2-methoxy-3-methylphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;methyl 4-methoxy-3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzoate

C125H118F5N30O16PS9 — CID 161160568

About N-(5-diethoxyphosphoryl-2-methoxyphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;4-(1,1-difluoroethoxy)-3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzamide;4-(1,1-difluoroethoxy)-3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzenesulfonamide;N-(2-ethylphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(5-ethylsulfonyl-2-methoxyphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(5-fluoro-2-methoxy-3-methylphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;methyl 4-methoxy-3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzoate

N-(5-diethoxyphosphoryl-2-methoxyphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;4-(1,1-difluoroethoxy)-3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzamide;4-(1,1-difluoroethoxy)-3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzenesulfonamide;N-(2-ethylphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(5-ethylsulfonyl-2-methoxyphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(5-fluoro-2-methoxy-3-methylphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;methyl 4-methoxy-3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzoate (PubChem CID 161160568) has the molecular formula C125H118F5N30O16PS9 and a molecular weight of 2711.08 g/mol. Its IUPAC name is N-(5-diethoxyphosphoryl-2-methoxyphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;4-(1,1-difluoroethoxy)-3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzamide;4-(1,1-difluoroethoxy)-3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzenesulfonamide;N-(2-ethylphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(5-ethylsulfonyl-2-methoxyphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(5-fluoro-2-methoxy-3-methylphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;methyl 4-methoxy-3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzoate.

Molecular Properties

• Compound Name: N-(5-diethoxyphosphoryl-2-methoxyphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;4-(1,1-difluoroethoxy)-3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzamide;4-(1,1-difluoroethoxy)-3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzenesulfonamide;N-(2-ethylphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(5-ethylsulfonyl-2-methoxyphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(5-fluoro-2-methoxy-3-methylphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;methyl 4-methoxy-3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzoate
• PubChem CID: 161160568
• Molecular Formula: C125H118F5N30O16PS9
• Molecular Weight: 2711.08 g/mol
• Exact Mass: 2708.65
• IUPAC Name: N-(5-diethoxyphosphoryl-2-methoxyphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;4-(1,1-difluoroethoxy)-3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzamide;4-(1,1-difluoroethoxy)-3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzenesulfonamide;N-(2-ethylphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(5-ethylsulfonyl-2-methoxyphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(5-fluoro-2-methoxy-3-methylphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;methyl 4-methoxy-3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzoate
• SMILES: CCOP(=O)(OCC)c1ccc(OC)c(Nc2nc3c(ccc4c3ncn4C)s2)c1.CCS(=O)(=O)c1ccc(OC)c(Nc2nc3c(ccc4c3ncn4C)s2)c1.CCc1ccccc1Nc1nc2c(ccc3c2ncn3C)s1.COC(=O)c1ccc(OC)c(Nc2nc3c(ccc4c3ncn4C)s2)c1.COc1c(C)cc(F)cc1Nc1nc2c(ccc3c2ncn3C)s1.Cn1cnc2c3nc(Nc4cc(C(N)=O)ccc4OC(C)(F)F)sc3ccc21.Cn1cnc2c3nc(Nc4cc(S(N)(=O)=O)ccc4OC(C)(F)F)sc3ccc21
• InChI: InChI=1S/C20H23N4O4PS.C18H15F2N5O2S.C18H18N4O3S2.C18H16N4O3S.C17H15F2N5O3S2.C17H15FN4OS.C17H16N4S/c1-5-27-29(25,28-6-2)13-7-9-16(26-4)14(11-13)22-20-23-19-17(30-20)10-8-15-18(19)21-12-24(15)3;1-18(19,20)27-12-5-3-9(16(21)26)7-10(12)23-17-24-15-13(28-17)6-4-11-14(15)22-8-25(11)2;1-4-27(23,24)11-5-7-14(25-3)12(9-11)20-18-21-17-15(26-18)8-6-13-16(17)19-10-22(13)2;1-22-9-19-15-12(22)5-7-14-16(15)21-18(26-14)20-11-8-10(17(23)25-3)4-6-13(11)24-2;1-17(18,19)27-12-5-3-9(29(20,25)26)7-10(12)22-16-23-15-13(28-16)6-4-11-14(15)21-8-24(11)2;1-9-6-10(18)7-11(16(9)23-3)20-17-21-15-13(24-17)5-4-12-14(15)19-8-22(12)2;1-3-11-6-4-5-7-12(11)19-17-20-16-14(22-17)9-8-13-15(16)18-10-21(13)2/h7-12H,5-6H2,1-4H3,(H,22,23);3-8H,1-2H3,(H2,21,26)(H,23,24);5-10H,4H2,1-3H3,(H,20,21);4-9H,1-3H3,(H,20,21);3-8H,1-2H3,(H,22,23)(H2,20,25,26);4-8H,1-3H3,(H,20,21);4-10H,3H2,1-2H3,(H,19,20)
• InChIKey: UPWBXZNWPOYIOJ-UHFFFAOYSA-N
• XLogP: 28.73
• TPSA: 553.78 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 51
• Rotatable Bonds: 33
• Heavy Atoms: 186
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2711.08
LogP ≤ 5	28.73
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	51

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(5-diethoxyphosphoryl-2-methoxyphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;4-(1,1-difluoroethoxy)-3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzamide;4-(1,1-difluoroethoxy)-3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzenesulfonamide;N-(2-ethylphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(5-ethylsulfonyl-2-methoxyphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(5-fluoro-2-methoxy-3-methylphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;methyl 4-methoxy-3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzoate?

The IUPAC name of N-(5-diethoxyphosphoryl-2-methoxyphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;4-(1,1-difluoroethoxy)-3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzamide;4-(1,1-difluoroethoxy)-3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzenesulfonamide;N-(2-ethylphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(5-ethylsulfonyl-2-methoxyphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(5-fluoro-2-methoxy-3-methylphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;methyl 4-methoxy-3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzoate (CID 161160568) is N-(5-diethoxyphosphoryl-2-methoxyphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;4-(1,1-difluoroethoxy)-3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzamide;4-(1,1-difluoroethoxy)-3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzenesulfonamide;N-(2-ethylphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(5-ethylsulfonyl-2-methoxyphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(5-fluoro-2-methoxy-3-methylphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;methyl 4-methoxy-3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzoate.

What is the SMILES notation for N-(5-diethoxyphosphoryl-2-methoxyphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;4-(1,1-difluoroethoxy)-3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzamide;4-(1,1-difluoroethoxy)-3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzenesulfonamide;N-(2-ethylphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(5-ethylsulfonyl-2-methoxyphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(5-fluoro-2-methoxy-3-methylphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;methyl 4-methoxy-3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzoate?

The canonical SMILES for N-(5-diethoxyphosphoryl-2-methoxyphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;4-(1,1-difluoroethoxy)-3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzamide;4-(1,1-difluoroethoxy)-3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzenesulfonamide;N-(2-ethylphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(5-ethylsulfonyl-2-methoxyphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(5-fluoro-2-methoxy-3-methylphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;methyl 4-methoxy-3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzoate is CCOP(=O)(OCC)c1ccc(OC)c(Nc2nc3c(ccc4c3ncn4C)s2)c1.CCS(=O)(=O)c1ccc(OC)c(Nc2nc3c(ccc4c3ncn4C)s2)c1.CCc1ccccc1Nc1nc2c(ccc3c2ncn3C)s1.COC(=O)c1ccc(OC)c(Nc2nc3c(ccc4c3ncn4C)s2)c1.COc1c(C)cc(F)cc1Nc1nc2c(ccc3c2ncn3C)s1.Cn1cnc2c3nc(Nc4cc(C(N)=O)ccc4OC(C)(F)F)sc3ccc21.Cn1cnc2c3nc(Nc4cc(S(N)(=O)=O)ccc4OC(C)(F)F)sc3ccc21.

What is the InChIKey of N-(5-diethoxyphosphoryl-2-methoxyphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;4-(1,1-difluoroethoxy)-3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzamide;4-(1,1-difluoroethoxy)-3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzenesulfonamide;N-(2-ethylphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(5-ethylsulfonyl-2-methoxyphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(5-fluoro-2-methoxy-3-methylphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;methyl 4-methoxy-3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzoate?

The InChIKey is UPWBXZNWPOYIOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N4O4PS.C18H15F2N5O2S.C18H18N4O3S2.C18H16N4O3S.C17H15F2N5O3S2.C17H15FN4OS.C17H16N4S/c1-5-27-29(25,28-6-2)13-7-9-16(26-4)14(11-13)22-20-23-19-17(30-20)10-8-15-18(19)21-12-24(15)3;1-18(19,20)27-12-5-3-9(16(21)26)7-10(12)23-17-24-15-13(28-17)6-4-11-14(15)22-8-25(11)2;1-4-27(23,24)11-5-7-14(25-3)12(9-11)20-18-21-17-15(26-18)8-6-13-16(17)19-10-22(13)2;1-22-9-19-15-12(22)5-7-14-16(15)21-18(26-14)20-11-8-10(17(23)25-3)4-6-13(11)24-2;1-17(18,19)27-12-5-3-9(29(20,25)26)7-10(12)22-16-23-15-13(28-16)6-4-11-14(15)21-8-24(11)2;1-9-6-10(18)7-11(16(9)23-3)20-17-21-15-13(24-17)5-4-12-14(15)19-8-22(12)2;1-3-11-6-4-5-7-12(11)19-17-20-16-14(22-17)9-8-13-15(16)18-10-21(13)2/h7-12H,5-6H2,1-4H3,(H,22,23);3-8H,1-2H3,(H2,21,26)(H,23,24);5-10H,4H2,1-3H3,(H,20,21);4-9H,1-3H3,(H,20,21);3-8H,1-2H3,(H,22,23)(H2,20,25,26);4-8H,1-3H3,(H,20,21);4-10H,3H2,1-2H3,(H,19,20).

What are the key properties of N-(5-diethoxyphosphoryl-2-methoxyphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;4-(1,1-difluoroethoxy)-3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzamide;4-(1,1-difluoroethoxy)-3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzenesulfonamide;N-(2-ethylphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(5-ethylsulfonyl-2-methoxyphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(5-fluoro-2-methoxy-3-methylphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;methyl 4-methoxy-3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzoate?

N-(5-diethoxyphosphoryl-2-methoxyphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;4-(1,1-difluoroethoxy)-3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzamide;4-(1,1-difluoroethoxy)-3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzenesulfonamide;N-(2-ethylphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(5-ethylsulfonyl-2-methoxyphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(5-fluoro-2-methoxy-3-methylphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;methyl 4-methoxy-3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzoate has a molecular weight of 2711.08 g/mol, XLogP of 28.73, 33 rotatable bonds, 9 hydrogen bond donors, and 51 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-diethoxyphosphoryl-2-methoxyphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;4-(1,1-difluoroethoxy)-3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzamide;4-(1,1-difluoroethoxy)-3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzenesulfonamide;N-(2-ethylphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(5-ethylsulfonyl-2-methoxyphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(5-fluoro-2-methoxy-3-methylphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;methyl 4-methoxy-3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzoate is sourced from PubChem (CID 161160568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).