3-[1-[5-[1-(5-tert-butylfuran-3-yl)-2-methylpropan-2-yl]thiophen-2-yl]-2-methylpropan-2-yl]pyridine

C25H33NOS — CID 134536478

IUPAC3-[1-[5-[1-(5-tert-butylfuran-3-yl)-2-methylpropan-2-yl]thiophen-2-yl]-2-methylpropan-2-yl]pyridine
SMILESCC(C)(C)c1cc(CC(C)(C)c2ccc(CC(C)(C)c3cccnc3)s2)co1
InChIInChI=1S/C25H33NOS/c1-23(2,3)21-13-18(17-27-21)14-25(6,7)22-11-10-20(28-22)15-24(4,5)19-9-8-12-26-16-19/h8-13,16-17H,14-15H2,1-7H3
InChIKeySGYJBQJKUJJANV-UHFFFAOYSA-N
MW395.61 g/mol
LogP7.07
Rot. Bonds6

About 3-[1-[5-[1-(5-tert-butylfuran-3-yl)-2-methylpropan-2-yl]thiophen-2-yl]-2-methylpropan-2-yl]pyridine

3-[1-[5-[1-(5-tert-butylfuran-3-yl)-2-methylpropan-2-yl]thiophen-2-yl]-2-methylpropan-2-yl]pyridine (PubChem CID 134536478) has the molecular formula C25H33NOS and a molecular weight of 395.61 g/mol. Its IUPAC name is 3-[1-[5-[1-(5-tert-butylfuran-3-yl)-2-methylpropan-2-yl]thiophen-2-yl]-2-methylpropan-2-yl]pyridine.

Molecular Properties

Compound Name3-[1-[5-[1-(5-tert-butylfuran-3-yl)-2-methylpropan-2-yl]thiophen-2-yl]-2-methylpropan-2-yl]pyridine
PubChem CID134536478
Molecular FormulaC25H33NOS
Molecular Weight395.61 g/mol
Exact Mass395.23
IUPAC Name3-[1-[5-[1-(5-tert-butylfuran-3-yl)-2-methylpropan-2-yl]thiophen-2-yl]-2-methylpropan-2-yl]pyridine
SMILESCC(C)(C)c1cc(CC(C)(C)c2ccc(CC(C)(C)c3cccnc3)s2)co1
InChIInChI=1S/C25H33NOS/c1-23(2,3)21-13-18(17-27-21)14-25(6,7)22-11-10-20(28-22)15-24(4,5)19-9-8-12-26-16-19/h8-13,16-17H,14-15H2,1-7H3
InChIKeySGYJBQJKUJJANV-UHFFFAOYSA-N
XLogP7.07
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.61
LogP ≤ 57.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[5-[1-(5-tert-butylfuran-3-yl)-2-methylpropan-2-yl]thiophen-2-yl]-2-methylpropan-2-yl]pyridine?
The IUPAC name of 3-[1-[5-[1-(5-tert-butylfuran-3-yl)-2-methylpropan-2-yl]thiophen-2-yl]-2-methylpropan-2-yl]pyridine (CID 134536478) is 3-[1-[5-[1-(5-tert-butylfuran-3-yl)-2-methylpropan-2-yl]thiophen-2-yl]-2-methylpropan-2-yl]pyridine.
What is the SMILES notation for 3-[1-[5-[1-(5-tert-butylfuran-3-yl)-2-methylpropan-2-yl]thiophen-2-yl]-2-methylpropan-2-yl]pyridine?
The canonical SMILES for 3-[1-[5-[1-(5-tert-butylfuran-3-yl)-2-methylpropan-2-yl]thiophen-2-yl]-2-methylpropan-2-yl]pyridine is CC(C)(C)c1cc(CC(C)(C)c2ccc(CC(C)(C)c3cccnc3)s2)co1.
What is the InChIKey of 3-[1-[5-[1-(5-tert-butylfuran-3-yl)-2-methylpropan-2-yl]thiophen-2-yl]-2-methylpropan-2-yl]pyridine?
The InChIKey is SGYJBQJKUJJANV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33NOS/c1-23(2,3)21-13-18(17-27-21)14-25(6,7)22-11-10-20(28-22)15-24(4,5)19-9-8-12-26-16-19/h8-13,16-17H,14-15H2,1-7H3.
What are the key properties of 3-[1-[5-[1-(5-tert-butylfuran-3-yl)-2-methylpropan-2-yl]thiophen-2-yl]-2-methylpropan-2-yl]pyridine?
3-[1-[5-[1-(5-tert-butylfuran-3-yl)-2-methylpropan-2-yl]thiophen-2-yl]-2-methylpropan-2-yl]pyridine has a molecular weight of 395.61 g/mol, XLogP of 7.07, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[5-[1-(5-tert-butylfuran-3-yl)-2-methylpropan-2-yl]thiophen-2-yl]-2-methylpropan-2-yl]pyridine is sourced from PubChem (CID 134536478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).