2-propan-2-ylfuran;bis(2-propan-2-yl-1,3-thiazole);2-propan-2-ylthiophene

C₂₆H₃₈N₂OS₃ — CID 157119020

About 2-propan-2-ylfuran;bis(2-propan-2-yl-1,3-thiazole);2-propan-2-ylthiophene

2-propan-2-ylfuran;bis(2-propan-2-yl-1,3-thiazole);2-propan-2-ylthiophene (PubChem CID 157119020) has the molecular formula C₂₆H₃₈N₂OS₃ and a molecular weight of 490.80 g/mol. Its IUPAC name is 2-propan-2-ylfuran;bis(2-propan-2-yl-1,3-thiazole);2-propan-2-ylthiophene.

Molecular Properties

• Compound Name: 2-propan-2-ylfuran;bis(2-propan-2-yl-1,3-thiazole);2-propan-2-ylthiophene
• PubChem CID: 157119020
• Molecular Formula: C₂₆H₃₈N₂OS₃
• Molecular Weight: 490.80 g/mol
• Exact Mass: 490.21
• IUPAC Name: 2-propan-2-ylfuran;bis(2-propan-2-yl-1,3-thiazole);2-propan-2-ylthiophene
• SMILES: CC(C)c1ccco1.CC(C)c1cccs1.CC(C)c1nccs1.CC(C)c1nccs1
• InChI: InChI=1S/C7H10O.C7H10S.2C6H9NS/c2*1-6(2)7-4-3-5-8-7;2*1-5(2)6-7-3-4-8-6/h2*3-6H,1-2H3;2*3-5H,1-2H3
• InChIKey: AHSXTPBCFYBMMX-UHFFFAOYSA-N
• XLogP: 9.81
• TPSA: 38.92 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	490.80
LogP ≤ 5	9.81
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-ylfuran;bis(2-propan-2-yl-1,3-thiazole);2-propan-2-ylthiophene?

The IUPAC name of 2-propan-2-ylfuran;bis(2-propan-2-yl-1,3-thiazole);2-propan-2-ylthiophene (CID 157119020) is 2-propan-2-ylfuran;bis(2-propan-2-yl-1,3-thiazole);2-propan-2-ylthiophene.

What is the SMILES notation for 2-propan-2-ylfuran;bis(2-propan-2-yl-1,3-thiazole);2-propan-2-ylthiophene?

The canonical SMILES for 2-propan-2-ylfuran;bis(2-propan-2-yl-1,3-thiazole);2-propan-2-ylthiophene is CC(C)c1ccco1.CC(C)c1cccs1.CC(C)c1nccs1.CC(C)c1nccs1.

What is the InChIKey of 2-propan-2-ylfuran;bis(2-propan-2-yl-1,3-thiazole);2-propan-2-ylthiophene?

The InChIKey is AHSXTPBCFYBMMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O.C7H10S.2C6H9NS/c2*1-6(2)7-4-3-5-8-7;2*1-5(2)6-7-3-4-8-6/h2*3-6H,1-2H3;2*3-5H,1-2H3.

What are the key properties of 2-propan-2-ylfuran;bis(2-propan-2-yl-1,3-thiazole);2-propan-2-ylthiophene?

2-propan-2-ylfuran;bis(2-propan-2-yl-1,3-thiazole);2-propan-2-ylthiophene has a molecular weight of 490.80 g/mol, XLogP of 9.81, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-propan-2-ylfuran;bis(2-propan-2-yl-1,3-thiazole);2-propan-2-ylthiophene is sourced from PubChem (CID 157119020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 157119020 — identifiers, structure, computed properties (public domain)

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