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

C95H93BBrCl3F6N22O9S4 — CID 158172304

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

2-bromo-1,3-thiazole;5-chloro-2-(difluoromethyl)-N-[2-methoxy-3-(1,3-thiazol-2-yl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5,7-dichloro-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridine;2-(difluoromethyl)-5-[(6-isocyano-2-pyridinyl)methyl]-N-[2-methoxy-3-(1,3-thiazol-2-yl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;6-isocyanopyridin-2-amine;2-methoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;2-methoxy-3-(1,3-thiazol-2-yl)aniline (PubChem CID 158172304) has the molecular formula C95H93BBrCl3F6N22O9S4 and a molecular weight of 2126.26 g/mol. Its IUPAC name is 2-bromo-1,3-thiazole;5-chloro-2-(difluoromethyl)-N-[2-methoxy-3-(1,3-thiazol-2-yl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5,7-dichloro-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridine;2-(difluoromethyl)-5-[(6-isocyano-2-pyridinyl)methyl]-N-[2-methoxy-3-(1,3-thiazol-2-yl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;6-isocyanopyridin-2-amine;2-methoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;2-methoxy-3-(1,3-thiazol-2-yl)aniline.

Molecular Properties

• Compound Name: 2-bromo-1,3-thiazole;5-chloro-2-(difluoromethyl)-N-[2-methoxy-3-(1,3-thiazol-2-yl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5,7-dichloro-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridine;2-(difluoromethyl)-5-[(6-isocyano-2-pyridinyl)methyl]-N-[2-methoxy-3-(1,3-thiazol-2-yl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;6-isocyanopyridin-2-amine;2-methoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;2-methoxy-3-(1,3-thiazol-2-yl)aniline
• PubChem CID: 158172304
• Molecular Formula: C95H93BBrCl3F6N22O9S4
• Molecular Weight: 2126.26 g/mol
• Exact Mass: 2122.46
• IUPAC Name: 2-bromo-1,3-thiazole;5-chloro-2-(difluoromethyl)-N-[2-methoxy-3-(1,3-thiazol-2-yl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5,7-dichloro-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridine;2-(difluoromethyl)-5-[(6-isocyano-2-pyridinyl)methyl]-N-[2-methoxy-3-(1,3-thiazol-2-yl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;6-isocyanopyridin-2-amine;2-methoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;2-methoxy-3-(1,3-thiazol-2-yl)aniline
• SMILES: Brc1nccs1.COc1c(N)cccc1-c1nccs1.COc1c(N)cccc1B1OC(C)(C)C(C)(C)O1.COc1c(Nc2cc(Cl)nc3c2nc(C(F)F)n3C2CCCCO2)cccc1-c1nccs1.FC(F)c1nc2c(Cl)cc(Cl)nc2n1C1CCCCO1.[C-]#[N+]c1cccc(Cc2cc(Nc3cccc(-c4nccs4)c3OC)c3nc(C(F)F)n(C4CCCCO4)c3n2)n1.[C-]#[N+]c1cccc(N)n1
• InChI: InChI=1S/C29H25F2N7O2S.C22H20ClF2N5O2S.C13H20BNO3.C12H11Cl2F2N3O.C10H10N2OS.C6H5N3.C3H2BrNS/c1-32-22-10-5-7-17(34-22)15-18-16-21(36-20-9-6-8-19(25(20)39-2)29-33-12-14-41-29)24-27(35-18)38(28(37-24)26(30)31)23-11-3-4-13-40-23;1-31-18-12(22-26-8-10-33-22)5-4-6-13(18)27-14-11-15(23)28-20-17(14)29-21(19(24)25)30(20)16-7-2-3-9-32-16;1-12(2)13(3,4)18-14(17-12)9-7-6-8-10(15)11(9)16-5;13-6-5-7(14)17-11-9(6)18-12(10(15)16)19(11)8-3-1-2-4-20-8;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;4-3-5-1-2-6-3/h5-10,12,14,16,23,26H,3-4,11,13,15H2,2H3,(H,35,36);4-6,8,10-11,16,19H,2-3,7,9H2,1H3,(H,27,28);6-8H,15H2,1-5H3;5,8,10H,1-4H2;2-6H,11H2,1H3;2-4H,(H2,7,9);1-2H
• InChIKey: FXPHDTMRHVSZFC-UHFFFAOYSA-N
• XLogP: 25.55
• TPSA: 363.38 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 33
• Rotatable Bonds: 20
• Heavy Atoms: 141
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2126.26
LogP ≤ 5	25.55
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	33

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'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of 2-bromo-1,3-thiazole;5-chloro-2-(difluoromethyl)-N-[2-methoxy-3-(1,3-thiazol-2-yl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5,7-dichloro-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridine;2-(difluoromethyl)-5-[(6-isocyano-2-pyridinyl)methyl]-N-[2-methoxy-3-(1,3-thiazol-2-yl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;6-isocyanopyridin-2-amine;2-methoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;2-methoxy-3-(1,3-thiazol-2-yl)aniline (CID 158172304) is 2-bromo-1,3-thiazole;5-chloro-2-(difluoromethyl)-N-[2-methoxy-3-(1,3-thiazol-2-yl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5,7-dichloro-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridine;2-(difluoromethyl)-5-[(6-isocyano-2-pyridinyl)methyl]-N-[2-methoxy-3-(1,3-thiazol-2-yl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;6-isocyanopyridin-2-amine;2-methoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;2-methoxy-3-(1,3-thiazol-2-yl)aniline.

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

The canonical SMILES for 2-bromo-1,3-thiazole;5-chloro-2-(difluoromethyl)-N-[2-methoxy-3-(1,3-thiazol-2-yl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5,7-dichloro-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridine;2-(difluoromethyl)-5-[(6-isocyano-2-pyridinyl)methyl]-N-[2-methoxy-3-(1,3-thiazol-2-yl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;6-isocyanopyridin-2-amine;2-methoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;2-methoxy-3-(1,3-thiazol-2-yl)aniline is Brc1nccs1.COc1c(N)cccc1-c1nccs1.COc1c(N)cccc1B1OC(C)(C)C(C)(C)O1.COc1c(Nc2cc(Cl)nc3c2nc(C(F)F)n3C2CCCCO2)cccc1-c1nccs1.FC(F)c1nc2c(Cl)cc(Cl)nc2n1C1CCCCO1.[C-]#[N+]c1cccc(Cc2cc(Nc3cccc(-c4nccs4)c3OC)c3nc(C(F)F)n(C4CCCCO4)c3n2)n1.[C-]#[N+]c1cccc(N)n1.

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

The InChIKey is FXPHDTMRHVSZFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25F2N7O2S.C22H20ClF2N5O2S.C13H20BNO3.C12H11Cl2F2N3O.C10H10N2OS.C6H5N3.C3H2BrNS/c1-32-22-10-5-7-17(34-22)15-18-16-21(36-20-9-6-8-19(25(20)39-2)29-33-12-14-41-29)24-27(35-18)38(28(37-24)26(30)31)23-11-3-4-13-40-23;1-31-18-12(22-26-8-10-33-22)5-4-6-13(18)27-14-11-15(23)28-20-17(14)29-21(19(24)25)30(20)16-7-2-3-9-32-16;1-12(2)13(3,4)18-14(17-12)9-7-6-8-10(15)11(9)16-5;13-6-5-7(14)17-11-9(6)18-12(10(15)16)19(11)8-3-1-2-4-20-8;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;4-3-5-1-2-6-3/h5-10,12,14,16,23,26H,3-4,11,13,15H2,2H3,(H,35,36);4-6,8,10-11,16,19H,2-3,7,9H2,1H3,(H,27,28);6-8H,15H2,1-5H3;5,8,10H,1-4H2;2-6H,11H2,1H3;2-4H,(H2,7,9);1-2H.

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

2-bromo-1,3-thiazole;5-chloro-2-(difluoromethyl)-N-[2-methoxy-3-(1,3-thiazol-2-yl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5,7-dichloro-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridine;2-(difluoromethyl)-5-[(6-isocyano-2-pyridinyl)methyl]-N-[2-methoxy-3-(1,3-thiazol-2-yl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;6-isocyanopyridin-2-amine;2-methoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;2-methoxy-3-(1,3-thiazol-2-yl)aniline has a molecular weight of 2126.26 g/mol, XLogP of 25.55, 20 rotatable bonds, 5 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 2-bromo-1,3-thiazole;5-chloro-2-(difluoromethyl)-N-[2-methoxy-3-(1,3-thiazol-2-yl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5,7-dichloro-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridine;2-(difluoromethyl)-5-[(6-isocyano-2-pyridinyl)methyl]-N-[2-methoxy-3-(1,3-thiazol-2-yl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;6-isocyanopyridin-2-amine;2-methoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;2-methoxy-3-(1,3-thiazol-2-yl)aniline is sourced from PubChem (CID 158172304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).