2-[5-(3-azabicyclo[3.1.0]hexan-3-yl)pyrazin-2-yl]-4-methyl-1,3-thiazole;2-[5-(3-azabicyclo[3.1.0]hexan-3-yl)pyrazin-2-yl]-1,3-thiazol-4-amine;deuterioethane;2,2,2-trifluoroacetaldehyde

C29H34F3N9OS2 — CID 160696875

About 2-[5-(3-azabicyclo[3.1.0]hexan-3-yl)pyrazin-2-yl]-4-methyl-1,3-thiazole;2-[5-(3-azabicyclo[3.1.0]hexan-3-yl)pyrazin-2-yl]-1,3-thiazol-4-amine;deuterioethane;2,2,2-trifluoroacetaldehyde

2-[5-(3-azabicyclo[3.1.0]hexan-3-yl)pyrazin-2-yl]-4-methyl-1,3-thiazole;2-[5-(3-azabicyclo[3.1.0]hexan-3-yl)pyrazin-2-yl]-1,3-thiazol-4-amine;deuterioethane;2,2,2-trifluoroacetaldehyde (PubChem CID 160696875) has the molecular formula C29H34F3N9OS2 and a molecular weight of 646.79 g/mol. Its IUPAC name is 2-[5-(3-azabicyclo[3.1.0]hexan-3-yl)pyrazin-2-yl]-4-methyl-1,3-thiazole;2-[5-(3-azabicyclo[3.1.0]hexan-3-yl)pyrazin-2-yl]-1,3-thiazol-4-amine;deuterioethane;2,2,2-trifluoroacetaldehyde.

Molecular Properties

• Compound Name: 2-[5-(3-azabicyclo[3.1.0]hexan-3-yl)pyrazin-2-yl]-4-methyl-1,3-thiazole;2-[5-(3-azabicyclo[3.1.0]hexan-3-yl)pyrazin-2-yl]-1,3-thiazol-4-amine;deuterioethane;2,2,2-trifluoroacetaldehyde
• PubChem CID: 160696875
• Molecular Formula: C29H34F3N9OS2
• Molecular Weight: 646.79 g/mol
• Exact Mass: 646.23
• IUPAC Name: 2-[5-(3-azabicyclo[3.1.0]hexan-3-yl)pyrazin-2-yl]-4-methyl-1,3-thiazole;2-[5-(3-azabicyclo[3.1.0]hexan-3-yl)pyrazin-2-yl]-1,3-thiazol-4-amine;deuterioethane;2,2,2-trifluoroacetaldehyde
• SMILES: Cc1csc(-c2cnc(N3CC4CC4C3)cn2)n1.Nc1csc(-c2cnc(N3CC4CC4C3)cn2)n1.O=CC(F)(F)F.[2H]CC
• InChI: InChI=1S/C13H14N4S.C12H13N5S.C2HF3O.C2H6/c1-8-7-18-13(16-8)11-3-15-12(4-14-11)17-5-9-2-10(9)6-17;13-10-6-18-12(16-10)9-2-15-11(3-14-9)17-4-7-1-8(7)5-17;3-2(4,5)1-6;1-2/h3-4,7,9-10H,2,5-6H2,1H3;2-3,6-8H,1,4-5,13H2;1H;1-2H3/i;;;1D
• InChIKey: RQCNPJKFHDZMEW-PBJKEDEQSA-N
• XLogP: 5.78
• TPSA: 126.91 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 12
• Rotatable Bonds: 4
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	646.79
LogP ≤ 5	5.78
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[5-(3-azabicyclo[3.1.0]hexan-3-yl)pyrazin-2-yl]-4-methyl-1,3-thiazole;2-[5-(3-azabicyclo[3.1.0]hexan-3-yl)pyrazin-2-yl]-1,3-thiazol-4-amine;deuterioethane;2,2,2-trifluoroacetaldehyde?

The IUPAC name of 2-[5-(3-azabicyclo[3.1.0]hexan-3-yl)pyrazin-2-yl]-4-methyl-1,3-thiazole;2-[5-(3-azabicyclo[3.1.0]hexan-3-yl)pyrazin-2-yl]-1,3-thiazol-4-amine;deuterioethane;2,2,2-trifluoroacetaldehyde (CID 160696875) is 2-[5-(3-azabicyclo[3.1.0]hexan-3-yl)pyrazin-2-yl]-4-methyl-1,3-thiazole;2-[5-(3-azabicyclo[3.1.0]hexan-3-yl)pyrazin-2-yl]-1,3-thiazol-4-amine;deuterioethane;2,2,2-trifluoroacetaldehyde.

What is the SMILES notation for 2-[5-(3-azabicyclo[3.1.0]hexan-3-yl)pyrazin-2-yl]-4-methyl-1,3-thiazole;2-[5-(3-azabicyclo[3.1.0]hexan-3-yl)pyrazin-2-yl]-1,3-thiazol-4-amine;deuterioethane;2,2,2-trifluoroacetaldehyde?

The canonical SMILES for 2-[5-(3-azabicyclo[3.1.0]hexan-3-yl)pyrazin-2-yl]-4-methyl-1,3-thiazole;2-[5-(3-azabicyclo[3.1.0]hexan-3-yl)pyrazin-2-yl]-1,3-thiazol-4-amine;deuterioethane;2,2,2-trifluoroacetaldehyde is Cc1csc(-c2cnc(N3CC4CC4C3)cn2)n1.Nc1csc(-c2cnc(N3CC4CC4C3)cn2)n1.O=CC(F)(F)F.[2H]CC.

What is the InChIKey of 2-[5-(3-azabicyclo[3.1.0]hexan-3-yl)pyrazin-2-yl]-4-methyl-1,3-thiazole;2-[5-(3-azabicyclo[3.1.0]hexan-3-yl)pyrazin-2-yl]-1,3-thiazol-4-amine;deuterioethane;2,2,2-trifluoroacetaldehyde?

The InChIKey is RQCNPJKFHDZMEW-PBJKEDEQSA-N. The full InChI is InChI=1S/C13H14N4S.C12H13N5S.C2HF3O.C2H6/c1-8-7-18-13(16-8)11-3-15-12(4-14-11)17-5-9-2-10(9)6-17;13-10-6-18-12(16-10)9-2-15-11(3-14-9)17-4-7-1-8(7)5-17;3-2(4,5)1-6;1-2/h3-4,7,9-10H,2,5-6H2,1H3;2-3,6-8H,1,4-5,13H2;1H;1-2H3/i;;;1D.

What are the key properties of 2-[5-(3-azabicyclo[3.1.0]hexan-3-yl)pyrazin-2-yl]-4-methyl-1,3-thiazole;2-[5-(3-azabicyclo[3.1.0]hexan-3-yl)pyrazin-2-yl]-1,3-thiazol-4-amine;deuterioethane;2,2,2-trifluoroacetaldehyde?

2-[5-(3-azabicyclo[3.1.0]hexan-3-yl)pyrazin-2-yl]-4-methyl-1,3-thiazole;2-[5-(3-azabicyclo[3.1.0]hexan-3-yl)pyrazin-2-yl]-1,3-thiazol-4-amine;deuterioethane;2,2,2-trifluoroacetaldehyde has a molecular weight of 646.79 g/mol, XLogP of 5.78, 4 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-(3-azabicyclo[3.1.0]hexan-3-yl)pyrazin-2-yl]-4-methyl-1,3-thiazole;2-[5-(3-azabicyclo[3.1.0]hexan-3-yl)pyrazin-2-yl]-1,3-thiazol-4-amine;deuterioethane;2,2,2-trifluoroacetaldehyde is sourced from PubChem (CID 160696875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).