5-chloro-N-[2-methoxy-3-(1,3-thiazol-2-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;6-isocyanopyridin-2-amine;5-[(6-isocyano-2-pyridinyl)methyl]-N-[2-methoxy-3-(1,3-thiazol-2-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5-[(6-isocyano-2-pyridinyl)methyl]-N-[2-methoxy-3-(1,3-thiazol-2-yl)phenyl]-2-methyl-3H-pyrrolo[3,2-b]pyridin-7-amine;2-methoxy-3-(1,3-thiazol-2-yl)aniline

C104H97Cl3N26O7S4 — CID 160745386

About 5-chloro-N-[2-methoxy-3-(1,3-thiazol-2-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;6-isocyanopyridin-2-amine;5-[(6-isocyano-2-pyridinyl)methyl]-N-[2-methoxy-3-(1,3-thiazol-2-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5-[(6-isocyano-2-pyridinyl)methyl]-N-[2-methoxy-3-(1,3-thiazol-2-yl)phenyl]-2-methyl-3H-pyrrolo[3,2-b]pyridin-7-amine;2-methoxy-3-(1,3-thiazol-2-yl)aniline

5-chloro-N-[2-methoxy-3-(1,3-thiazol-2-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;6-isocyanopyridin-2-amine;5-[(6-isocyano-2-pyridinyl)methyl]-N-[2-methoxy-3-(1,3-thiazol-2-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5-[(6-isocyano-2-pyridinyl)methyl]-N-[2-methoxy-3-(1,3-thiazol-2-yl)phenyl]-2-methyl-3H-pyrrolo[3,2-b]pyridin-7-amine;2-methoxy-3-(1,3-thiazol-2-yl)aniline (PubChem CID 160745386) has the molecular formula C104H97Cl3N26O7S4 and a molecular weight of 2057.72 g/mol. Its IUPAC name is 5-chloro-N-[2-methoxy-3-(1,3-thiazol-2-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;6-isocyanopyridin-2-amine;5-[(6-isocyano-2-pyridinyl)methyl]-N-[2-methoxy-3-(1,3-thiazol-2-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5-[(6-isocyano-2-pyridinyl)methyl]-N-[2-methoxy-3-(1,3-thiazol-2-yl)phenyl]-2-methyl-3H-pyrrolo[3,2-b]pyridin-7-amine;2-methoxy-3-(1,3-thiazol-2-yl)aniline.

Molecular Properties

• Compound Name: 5-chloro-N-[2-methoxy-3-(1,3-thiazol-2-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;6-isocyanopyridin-2-amine;5-[(6-isocyano-2-pyridinyl)methyl]-N-[2-methoxy-3-(1,3-thiazol-2-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5-[(6-isocyano-2-pyridinyl)methyl]-N-[2-methoxy-3-(1,3-thiazol-2-yl)phenyl]-2-methyl-3H-pyrrolo[3,2-b]pyridin-7-amine;2-methoxy-3-(1,3-thiazol-2-yl)aniline
• PubChem CID: 160745386
• Molecular Formula: C104H97Cl3N26O7S4
• Molecular Weight: 2057.72 g/mol
• Exact Mass: 2054.60
• IUPAC Name: 5-chloro-N-[2-methoxy-3-(1,3-thiazol-2-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;6-isocyanopyridin-2-amine;5-[(6-isocyano-2-pyridinyl)methyl]-N-[2-methoxy-3-(1,3-thiazol-2-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5-[(6-isocyano-2-pyridinyl)methyl]-N-[2-methoxy-3-(1,3-thiazol-2-yl)phenyl]-2-methyl-3H-pyrrolo[3,2-b]pyridin-7-amine;2-methoxy-3-(1,3-thiazol-2-yl)aniline
• SMILES: COc1c(N)cccc1-c1nccs1.COc1c(Nc2cc(Cl)nc3c2nc(C)n3C2CCCCO2)cccc1-c1nccs1.Cc1nc2c(Cl)cc(Cl)nc2n1C1CCCCO1.[C-]#[N+]c1cccc(Cc2cc(Nc3cccc(-c4nccs4)c3OC)c3c(n2)CC(C)=N3)n1.[C-]#[N+]c1cccc(Cc2cc(Nc3cccc(-c4nccs4)c3OC)c3nc(C)n(C4CCCCO4)c3n2)n1.[C-]#[N+]c1cccc(N)n1
• InChI: InChI=1S/C29H27N7O2S.C25H20N6OS.C22H22ClN5O2S.C12H13Cl2N3O.C10H10N2OS.C6H5N3/c1-18-32-26-23(35-22-10-7-9-21(27(22)37-3)29-31-13-15-39-29)17-20(16-19-8-6-11-24(30-2)33-19)34-28(26)36(18)25-12-4-5-14-38-25;1-15-12-20-23(28-15)21(14-17(29-20)13-16-6-4-9-22(26-2)30-16)31-19-8-5-7-18(24(19)32-3)25-27-10-11-33-25;1-13-25-19-16(12-17(23)27-21(19)28(13)18-8-3-4-10-30-18)26-15-7-5-6-14(20(15)29-2)22-24-9-11-31-22;1-7-15-11-8(13)6-9(14)16-12(11)17(7)10-4-2-3-5-18-10;1-13-9-7(3-2-4-8(9)11)10-12-5-6-14-10;1-8-6-4-2-3-5(7)9-6/h6-11,13,15,17,25H,4-5,12,14,16H2,1,3H3,(H,34,35);4-11,14H,12-13H2,1,3H3,(H,29,31);5-7,9,11-12,18H,3-4,8,10H2,1-2H3,(H,26,27);6,10H,2-5H2,1H3;2-6H,11H2,1H3;2-4H,(H2,7,9)
• InChIKey: RWDAGEWKKQAEGD-UHFFFAOYSA-N
• XLogP: 26.32
• TPSA: 373.43 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 34
• Rotatable Bonds: 21
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2057.72
LogP ≤ 5	26.32
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-methoxy-3-(1,3-thiazol-2-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;6-isocyanopyridin-2-amine;5-[(6-isocyano-2-pyridinyl)methyl]-N-[2-methoxy-3-(1,3-thiazol-2-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5-[(6-isocyano-2-pyridinyl)methyl]-N-[2-methoxy-3-(1,3-thiazol-2-yl)phenyl]-2-methyl-3H-pyrrolo[3,2-b]pyridin-7-amine;2-methoxy-3-(1,3-thiazol-2-yl)aniline?

The IUPAC name of 5-chloro-N-[2-methoxy-3-(1,3-thiazol-2-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;6-isocyanopyridin-2-amine;5-[(6-isocyano-2-pyridinyl)methyl]-N-[2-methoxy-3-(1,3-thiazol-2-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5-[(6-isocyano-2-pyridinyl)methyl]-N-[2-methoxy-3-(1,3-thiazol-2-yl)phenyl]-2-methyl-3H-pyrrolo[3,2-b]pyridin-7-amine;2-methoxy-3-(1,3-thiazol-2-yl)aniline (CID 160745386) is 5-chloro-N-[2-methoxy-3-(1,3-thiazol-2-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;6-isocyanopyridin-2-amine;5-[(6-isocyano-2-pyridinyl)methyl]-N-[2-methoxy-3-(1,3-thiazol-2-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5-[(6-isocyano-2-pyridinyl)methyl]-N-[2-methoxy-3-(1,3-thiazol-2-yl)phenyl]-2-methyl-3H-pyrrolo[3,2-b]pyridin-7-amine;2-methoxy-3-(1,3-thiazol-2-yl)aniline.

What is the SMILES notation for 5-chloro-N-[2-methoxy-3-(1,3-thiazol-2-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;6-isocyanopyridin-2-amine;5-[(6-isocyano-2-pyridinyl)methyl]-N-[2-methoxy-3-(1,3-thiazol-2-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5-[(6-isocyano-2-pyridinyl)methyl]-N-[2-methoxy-3-(1,3-thiazol-2-yl)phenyl]-2-methyl-3H-pyrrolo[3,2-b]pyridin-7-amine;2-methoxy-3-(1,3-thiazol-2-yl)aniline?

The canonical SMILES for 5-chloro-N-[2-methoxy-3-(1,3-thiazol-2-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;6-isocyanopyridin-2-amine;5-[(6-isocyano-2-pyridinyl)methyl]-N-[2-methoxy-3-(1,3-thiazol-2-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5-[(6-isocyano-2-pyridinyl)methyl]-N-[2-methoxy-3-(1,3-thiazol-2-yl)phenyl]-2-methyl-3H-pyrrolo[3,2-b]pyridin-7-amine;2-methoxy-3-(1,3-thiazol-2-yl)aniline is COc1c(N)cccc1-c1nccs1.COc1c(Nc2cc(Cl)nc3c2nc(C)n3C2CCCCO2)cccc1-c1nccs1.Cc1nc2c(Cl)cc(Cl)nc2n1C1CCCCO1.[C-]#[N+]c1cccc(Cc2cc(Nc3cccc(-c4nccs4)c3OC)c3c(n2)CC(C)=N3)n1.[C-]#[N+]c1cccc(Cc2cc(Nc3cccc(-c4nccs4)c3OC)c3nc(C)n(C4CCCCO4)c3n2)n1.[C-]#[N+]c1cccc(N)n1.

What is the InChIKey of 5-chloro-N-[2-methoxy-3-(1,3-thiazol-2-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;6-isocyanopyridin-2-amine;5-[(6-isocyano-2-pyridinyl)methyl]-N-[2-methoxy-3-(1,3-thiazol-2-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5-[(6-isocyano-2-pyridinyl)methyl]-N-[2-methoxy-3-(1,3-thiazol-2-yl)phenyl]-2-methyl-3H-pyrrolo[3,2-b]pyridin-7-amine;2-methoxy-3-(1,3-thiazol-2-yl)aniline?

The InChIKey is RWDAGEWKKQAEGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27N7O2S.C25H20N6OS.C22H22ClN5O2S.C12H13Cl2N3O.C10H10N2OS.C6H5N3/c1-18-32-26-23(35-22-10-7-9-21(27(22)37-3)29-31-13-15-39-29)17-20(16-19-8-6-11-24(30-2)33-19)34-28(26)36(18)25-12-4-5-14-38-25;1-15-12-20-23(28-15)21(14-17(29-20)13-16-6-4-9-22(26-2)30-16)31-19-8-5-7-18(24(19)32-3)25-27-10-11-33-25;1-13-25-19-16(12-17(23)27-21(19)28(13)18-8-3-4-10-30-18)26-15-7-5-6-14(20(15)29-2)22-24-9-11-31-22;1-7-15-11-8(13)6-9(14)16-12(11)17(7)10-4-2-3-5-18-10;1-13-9-7(3-2-4-8(9)11)10-12-5-6-14-10;1-8-6-4-2-3-5(7)9-6/h6-11,13,15,17,25H,4-5,12,14,16H2,1,3H3,(H,34,35);4-11,14H,12-13H2,1,3H3,(H,29,31);5-7,9,11-12,18H,3-4,8,10H2,1-2H3,(H,26,27);6,10H,2-5H2,1H3;2-6H,11H2,1H3;2-4H,(H2,7,9).

What are the key properties of 5-chloro-N-[2-methoxy-3-(1,3-thiazol-2-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;6-isocyanopyridin-2-amine;5-[(6-isocyano-2-pyridinyl)methyl]-N-[2-methoxy-3-(1,3-thiazol-2-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5-[(6-isocyano-2-pyridinyl)methyl]-N-[2-methoxy-3-(1,3-thiazol-2-yl)phenyl]-2-methyl-3H-pyrrolo[3,2-b]pyridin-7-amine;2-methoxy-3-(1,3-thiazol-2-yl)aniline?

5-chloro-N-[2-methoxy-3-(1,3-thiazol-2-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;6-isocyanopyridin-2-amine;5-[(6-isocyano-2-pyridinyl)methyl]-N-[2-methoxy-3-(1,3-thiazol-2-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5-[(6-isocyano-2-pyridinyl)methyl]-N-[2-methoxy-3-(1,3-thiazol-2-yl)phenyl]-2-methyl-3H-pyrrolo[3,2-b]pyridin-7-amine;2-methoxy-3-(1,3-thiazol-2-yl)aniline has a molecular weight of 2057.72 g/mol, XLogP of 26.32, 21 rotatable bonds, 5 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-N-[2-methoxy-3-(1,3-thiazol-2-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;6-isocyanopyridin-2-amine;5-[(6-isocyano-2-pyridinyl)methyl]-N-[2-methoxy-3-(1,3-thiazol-2-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5-[(6-isocyano-2-pyridinyl)methyl]-N-[2-methoxy-3-(1,3-thiazol-2-yl)phenyl]-2-methyl-3H-pyrrolo[3,2-b]pyridin-7-amine;2-methoxy-3-(1,3-thiazol-2-yl)aniline is sourced from PubChem (CID 160745386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).