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

C26H38N2OS3 — CID 157119020

IUPAC2-propan-2-ylfuran;bis(2-propan-2-yl-1,3-thiazole);2-propan-2-ylthiophene
SMILESCC(C)c1ccco1.CC(C)c1cccs1.CC(C)c1nccs1.CC(C)c1nccs1
InChIInChI=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
InChIKeyAHSXTPBCFYBMMX-UHFFFAOYSA-N
MW490.80 g/mol
LogP9.81
Rot. Bonds4

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 Name2-propan-2-ylfuran;bis(2-propan-2-yl-1,3-thiazole);2-propan-2-ylthiophene
PubChem CID157119020
Molecular FormulaC26H38N2OS3
Molecular Weight490.80 g/mol
Exact Mass490.21
IUPAC Name2-propan-2-ylfuran;bis(2-propan-2-yl-1,3-thiazole);2-propan-2-ylthiophene
SMILESCC(C)c1ccco1.CC(C)c1cccs1.CC(C)c1nccs1.CC(C)c1nccs1
InChIInChI=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
InChIKeyAHSXTPBCFYBMMX-UHFFFAOYSA-N
XLogP9.81
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.80
LogP ≤ 59.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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).