(5-bromo-4-methyl-1,3-thiazol-2-yl)methanol;6-[2-(hydroxymethyl)-4-methyl-1,3-thiazol-5-yl]-N-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide;methane;[3-[[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoyl]imidazo[1,2-a]pyridin-6-yl]boronic acid

C48H50BBrN12O8S2 — CID 161336124

About (5-bromo-4-methyl-1,3-thiazol-2-yl)methanol;6-[2-(hydroxymethyl)-4-methyl-1,3-thiazol-5-yl]-N-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide;methane;[3-[[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoyl]imidazo[1,2-a]pyridin-6-yl]boronic acid

(5-bromo-4-methyl-1,3-thiazol-2-yl)methanol;6-[2-(hydroxymethyl)-4-methyl-1,3-thiazol-5-yl]-N-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide;methane;[3-[[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoyl]imidazo[1,2-a]pyridin-6-yl]boronic acid (PubChem CID 161336124) has the molecular formula C48H50BBrN12O8S2 and a molecular weight of 1077.85 g/mol. Its IUPAC name is (5-bromo-4-methyl-1,3-thiazol-2-yl)methanol;6-[2-(hydroxymethyl)-4-methyl-1,3-thiazol-5-yl]-N-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide;methane;[3-[[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoyl]imidazo[1,2-a]pyridin-6-yl]boronic acid.

Molecular Properties

• Compound Name: (5-bromo-4-methyl-1,3-thiazol-2-yl)methanol;6-[2-(hydroxymethyl)-4-methyl-1,3-thiazol-5-yl]-N-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide;methane;[3-[[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoyl]imidazo[1,2-a]pyridin-6-yl]boronic acid
• PubChem CID: 161336124
• Molecular Formula: C48H50BBrN12O8S2
• Molecular Weight: 1077.85 g/mol
• Exact Mass: 1076.26
• IUPAC Name: (5-bromo-4-methyl-1,3-thiazol-2-yl)methanol;6-[2-(hydroxymethyl)-4-methyl-1,3-thiazol-5-yl]-N-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide;methane;[3-[[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoyl]imidazo[1,2-a]pyridin-6-yl]boronic acid
• SMILES: C.C.Cc1nc(-c2ccc(C)c(NC(=O)c3cnc4ccc(-c5sc(CO)nc5C)cn34)c2)no1.Cc1nc(-c2ccc(C)c(NC(=O)c3cnc4ccc(B(O)O)cn34)c2)no1.Cc1nc(CO)sc1Br
• InChI: InChI=1S/C23H20N6O3S.C18H16BN5O4.C5H6BrNOS.2CH4/c1-12-4-5-15(22-26-14(3)32-28-22)8-17(12)27-23(31)18-9-24-19-7-6-16(10-29(18)19)21-13(2)25-20(11-30)33-21;1-10-3-4-12(17-21-11(2)28-23-17)7-14(10)22-18(25)15-8-20-16-6-5-13(19(26)27)9-24(15)16;1-3-5(6)9-4(2-8)7-3;;/h4-10,30H,11H2,1-3H3,(H,27,31);3-9,26-27H,1-2H3,(H,22,25);8H,2H2,1H3;2*1H4
• InChIKey: VMBCGPYFRCLZBI-UHFFFAOYSA-N
• XLogP: 8.09
• TPSA: 277.34 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 20
• Rotatable Bonds: 10
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1077.85
LogP ≤ 5	8.09
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (5-bromo-4-methyl-1,3-thiazol-2-yl)methanol;6-[2-(hydroxymethyl)-4-methyl-1,3-thiazol-5-yl]-N-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide;methane;[3-[[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoyl]imidazo[1,2-a]pyridin-6-yl]boronic acid?

The IUPAC name of (5-bromo-4-methyl-1,3-thiazol-2-yl)methanol;6-[2-(hydroxymethyl)-4-methyl-1,3-thiazol-5-yl]-N-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide;methane;[3-[[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoyl]imidazo[1,2-a]pyridin-6-yl]boronic acid (CID 161336124) is (5-bromo-4-methyl-1,3-thiazol-2-yl)methanol;6-[2-(hydroxymethyl)-4-methyl-1,3-thiazol-5-yl]-N-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide;methane;[3-[[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoyl]imidazo[1,2-a]pyridin-6-yl]boronic acid.

What is the SMILES notation for (5-bromo-4-methyl-1,3-thiazol-2-yl)methanol;6-[2-(hydroxymethyl)-4-methyl-1,3-thiazol-5-yl]-N-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide;methane;[3-[[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoyl]imidazo[1,2-a]pyridin-6-yl]boronic acid?

The canonical SMILES for (5-bromo-4-methyl-1,3-thiazol-2-yl)methanol;6-[2-(hydroxymethyl)-4-methyl-1,3-thiazol-5-yl]-N-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide;methane;[3-[[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoyl]imidazo[1,2-a]pyridin-6-yl]boronic acid is C.C.Cc1nc(-c2ccc(C)c(NC(=O)c3cnc4ccc(-c5sc(CO)nc5C)cn34)c2)no1.Cc1nc(-c2ccc(C)c(NC(=O)c3cnc4ccc(B(O)O)cn34)c2)no1.Cc1nc(CO)sc1Br.

What is the InChIKey of (5-bromo-4-methyl-1,3-thiazol-2-yl)methanol;6-[2-(hydroxymethyl)-4-methyl-1,3-thiazol-5-yl]-N-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide;methane;[3-[[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoyl]imidazo[1,2-a]pyridin-6-yl]boronic acid?

The InChIKey is VMBCGPYFRCLZBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N6O3S.C18H16BN5O4.C5H6BrNOS.2CH4/c1-12-4-5-15(22-26-14(3)32-28-22)8-17(12)27-23(31)18-9-24-19-7-6-16(10-29(18)19)21-13(2)25-20(11-30)33-21;1-10-3-4-12(17-21-11(2)28-23-17)7-14(10)22-18(25)15-8-20-16-6-5-13(19(26)27)9-24(15)16;1-3-5(6)9-4(2-8)7-3;;/h4-10,30H,11H2,1-3H3,(H,27,31);3-9,26-27H,1-2H3,(H,22,25);8H,2H2,1H3;2*1H4.

What are the key properties of (5-bromo-4-methyl-1,3-thiazol-2-yl)methanol;6-[2-(hydroxymethyl)-4-methyl-1,3-thiazol-5-yl]-N-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide;methane;[3-[[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoyl]imidazo[1,2-a]pyridin-6-yl]boronic acid?

(5-bromo-4-methyl-1,3-thiazol-2-yl)methanol;6-[2-(hydroxymethyl)-4-methyl-1,3-thiazol-5-yl]-N-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide;methane;[3-[[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoyl]imidazo[1,2-a]pyridin-6-yl]boronic acid has a molecular weight of 1077.85 g/mol, XLogP of 8.09, 10 rotatable bonds, 6 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for (5-bromo-4-methyl-1,3-thiazol-2-yl)methanol;6-[2-(hydroxymethyl)-4-methyl-1,3-thiazol-5-yl]-N-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide;methane;[3-[[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoyl]imidazo[1,2-a]pyridin-6-yl]boronic acid is sourced from PubChem (CID 161336124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).