N-[6-(6-amino-5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]acetamide;N-(6-bromo-1,3-benzothiazol-2-yl)acetamide;5-bromo-3-methoxypyridin-2-amine;3-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine

C42H47BBr2N10O7S2 — CID 160547796

About N-[6-(6-amino-5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]acetamide;N-(6-bromo-1,3-benzothiazol-2-yl)acetamide;5-bromo-3-methoxypyridin-2-amine;3-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine

N-[6-(6-amino-5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]acetamide;N-(6-bromo-1,3-benzothiazol-2-yl)acetamide;5-bromo-3-methoxypyridin-2-amine;3-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine (PubChem CID 160547796) has the molecular formula C42H47BBr2N10O7S2 and a molecular weight of 1038.65 g/mol. Its IUPAC name is N-[6-(6-amino-5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]acetamide;N-(6-bromo-1,3-benzothiazol-2-yl)acetamide;5-bromo-3-methoxypyridin-2-amine;3-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine.

Molecular Properties

• Compound Name: N-[6-(6-amino-5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]acetamide;N-(6-bromo-1,3-benzothiazol-2-yl)acetamide;5-bromo-3-methoxypyridin-2-amine;3-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
• PubChem CID: 160547796
• Molecular Formula: C42H47BBr2N10O7S2
• Molecular Weight: 1038.65 g/mol
• Exact Mass: 1036.15
• IUPAC Name: N-[6-(6-amino-5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]acetamide;N-(6-bromo-1,3-benzothiazol-2-yl)acetamide;5-bromo-3-methoxypyridin-2-amine;3-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
• SMILES: CC(=O)Nc1nc2ccc(Br)cc2s1.COc1cc(-c2ccc3nc(NC(C)=O)sc3c2)cnc1N.COc1cc(B2OC(C)(C)C(C)(C)O2)cnc1N.COc1cc(Br)cnc1N
• InChI: InChI=1S/C15H14N4O2S.C12H19BN2O3.C9H7BrN2OS.C6H7BrN2O/c1-8(20)18-15-19-11-4-3-9(6-13(11)22-15)10-5-12(21-2)14(16)17-7-10;1-11(2)12(3,4)18-13(17-11)8-6-9(16-5)10(14)15-7-8;1-5(13)11-9-12-7-3-2-6(10)4-8(7)14-9;1-10-5-2-4(7)3-9-6(5)8/h3-7H,1-2H3,(H2,16,17)(H,18,19,20);6-7H,1-5H3,(H2,14,15);2-4H,1H3,(H,11,12,13);2-3H,1H3,(H2,8,9)
• InChIKey: QXQUKQSNLLOQBY-UHFFFAOYSA-N
• XLogP: 8.33
• TPSA: 246.86 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 17
• Rotatable Bonds: 7
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1038.65
LogP ≤ 5	8.33
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[6-(6-amino-5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]acetamide;N-(6-bromo-1,3-benzothiazol-2-yl)acetamide;5-bromo-3-methoxypyridin-2-amine;3-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine?

The IUPAC name of N-[6-(6-amino-5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]acetamide;N-(6-bromo-1,3-benzothiazol-2-yl)acetamide;5-bromo-3-methoxypyridin-2-amine;3-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine (CID 160547796) is N-[6-(6-amino-5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]acetamide;N-(6-bromo-1,3-benzothiazol-2-yl)acetamide;5-bromo-3-methoxypyridin-2-amine;3-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine.

What is the SMILES notation for N-[6-(6-amino-5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]acetamide;N-(6-bromo-1,3-benzothiazol-2-yl)acetamide;5-bromo-3-methoxypyridin-2-amine;3-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine?

The canonical SMILES for N-[6-(6-amino-5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]acetamide;N-(6-bromo-1,3-benzothiazol-2-yl)acetamide;5-bromo-3-methoxypyridin-2-amine;3-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine is CC(=O)Nc1nc2ccc(Br)cc2s1.COc1cc(-c2ccc3nc(NC(C)=O)sc3c2)cnc1N.COc1cc(B2OC(C)(C)C(C)(C)O2)cnc1N.COc1cc(Br)cnc1N.

What is the InChIKey of N-[6-(6-amino-5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]acetamide;N-(6-bromo-1,3-benzothiazol-2-yl)acetamide;5-bromo-3-methoxypyridin-2-amine;3-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine?

The InChIKey is QXQUKQSNLLOQBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2S.C12H19BN2O3.C9H7BrN2OS.C6H7BrN2O/c1-8(20)18-15-19-11-4-3-9(6-13(11)22-15)10-5-12(21-2)14(16)17-7-10;1-11(2)12(3,4)18-13(17-11)8-6-9(16-5)10(14)15-7-8;1-5(13)11-9-12-7-3-2-6(10)4-8(7)14-9;1-10-5-2-4(7)3-9-6(5)8/h3-7H,1-2H3,(H2,16,17)(H,18,19,20);6-7H,1-5H3,(H2,14,15);2-4H,1H3,(H,11,12,13);2-3H,1H3,(H2,8,9).

What are the key properties of N-[6-(6-amino-5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]acetamide;N-(6-bromo-1,3-benzothiazol-2-yl)acetamide;5-bromo-3-methoxypyridin-2-amine;3-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine?

N-[6-(6-amino-5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]acetamide;N-(6-bromo-1,3-benzothiazol-2-yl)acetamide;5-bromo-3-methoxypyridin-2-amine;3-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine has a molecular weight of 1038.65 g/mol, XLogP of 8.33, 7 rotatable bonds, 5 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-(6-amino-5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]acetamide;N-(6-bromo-1,3-benzothiazol-2-yl)acetamide;5-bromo-3-methoxypyridin-2-amine;3-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine is sourced from PubChem (CID 160547796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).