[6-(3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]boronic acid;N-[2-[6-(3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]-1,3-thiazol-4-yl]acetamide;N-(2-bromo-1,3-thiazol-4-yl)acetamide

C30H34BBrN8O4S2 — CID 159243290

About [6-(3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]boronic acid;N-[2-[6-(3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]-1,3-thiazol-4-yl]acetamide;N-(2-bromo-1,3-thiazol-4-yl)acetamide

[6-(3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]boronic acid;N-[2-[6-(3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]-1,3-thiazol-4-yl]acetamide;N-(2-bromo-1,3-thiazol-4-yl)acetamide (PubChem CID 159243290) has the molecular formula C30H34BBrN8O4S2 and a molecular weight of 725.50 g/mol. Its IUPAC name is [6-(3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]boronic acid;N-[2-[6-(3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]-1,3-thiazol-4-yl]acetamide;N-(2-bromo-1,3-thiazol-4-yl)acetamide.

Molecular Properties

• Compound Name: [6-(3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]boronic acid;N-[2-[6-(3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]-1,3-thiazol-4-yl]acetamide;N-(2-bromo-1,3-thiazol-4-yl)acetamide
• PubChem CID: 159243290
• Molecular Formula: C30H34BBrN8O4S2
• Molecular Weight: 725.50 g/mol
• Exact Mass: 724.14
• IUPAC Name: [6-(3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]boronic acid;N-[2-[6-(3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]-1,3-thiazol-4-yl]acetamide;N-(2-bromo-1,3-thiazol-4-yl)acetamide
• SMILES: CC(=O)Nc1csc(-c2ccc(N3CC4CC4C3)nc2)n1.CC(=O)Nc1csc(Br)n1.OB(O)c1ccc(N2CC3CC3C2)nc1
• InChI: InChI=1S/C15H16N4OS.C10H13BN2O2.C5H5BrN2OS/c1-9(20)17-13-8-21-15(18-13)10-2-3-14(16-5-10)19-6-11-4-12(11)7-19;14-11(15)9-1-2-10(12-4-9)13-5-7-3-8(7)6-13;1-3(9)7-4-2-10-5(6)8-4/h2-3,5,8,11-12H,4,6-7H2,1H3,(H,17,20);1-2,4,7-8,14-15H,3,5-6H2;2H,1H3,(H,7,9)
• InChIKey: KUJBJNHLOLJWRP-UHFFFAOYSA-N
• XLogP: 3.70
• TPSA: 156.70 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 12
• Rotatable Bonds: 6
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	725.50
LogP ≤ 5	3.70
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [6-(3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]boronic acid;N-[2-[6-(3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]-1,3-thiazol-4-yl]acetamide;N-(2-bromo-1,3-thiazol-4-yl)acetamide?

The IUPAC name of [6-(3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]boronic acid;N-[2-[6-(3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]-1,3-thiazol-4-yl]acetamide;N-(2-bromo-1,3-thiazol-4-yl)acetamide (CID 159243290) is [6-(3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]boronic acid;N-[2-[6-(3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]-1,3-thiazol-4-yl]acetamide;N-(2-bromo-1,3-thiazol-4-yl)acetamide.

What is the SMILES notation for [6-(3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]boronic acid;N-[2-[6-(3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]-1,3-thiazol-4-yl]acetamide;N-(2-bromo-1,3-thiazol-4-yl)acetamide?

The canonical SMILES for [6-(3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]boronic acid;N-[2-[6-(3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]-1,3-thiazol-4-yl]acetamide;N-(2-bromo-1,3-thiazol-4-yl)acetamide is CC(=O)Nc1csc(-c2ccc(N3CC4CC4C3)nc2)n1.CC(=O)Nc1csc(Br)n1.OB(O)c1ccc(N2CC3CC3C2)nc1.

What is the InChIKey of [6-(3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]boronic acid;N-[2-[6-(3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]-1,3-thiazol-4-yl]acetamide;N-(2-bromo-1,3-thiazol-4-yl)acetamide?

The InChIKey is KUJBJNHLOLJWRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4OS.C10H13BN2O2.C5H5BrN2OS/c1-9(20)17-13-8-21-15(18-13)10-2-3-14(16-5-10)19-6-11-4-12(11)7-19;14-11(15)9-1-2-10(12-4-9)13-5-7-3-8(7)6-13;1-3(9)7-4-2-10-5(6)8-4/h2-3,5,8,11-12H,4,6-7H2,1H3,(H,17,20);1-2,4,7-8,14-15H,3,5-6H2;2H,1H3,(H,7,9).

What are the key properties of [6-(3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]boronic acid;N-[2-[6-(3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]-1,3-thiazol-4-yl]acetamide;N-(2-bromo-1,3-thiazol-4-yl)acetamide?

[6-(3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]boronic acid;N-[2-[6-(3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]-1,3-thiazol-4-yl]acetamide;N-(2-bromo-1,3-thiazol-4-yl)acetamide has a molecular weight of 725.50 g/mol, XLogP of 3.70, 6 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for [6-(3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]boronic acid;N-[2-[6-(3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]-1,3-thiazol-4-yl]acetamide;N-(2-bromo-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 159243290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).