1-(5-tert-butylthiophen-2-yl)-3-pyrazin-2-ylpropan-1-one

C15H18N2OS — CID 58228758

IUPAC1-(5-tert-butylthiophen-2-yl)-3-pyrazin-2-ylpropan-1-one
SMILESCC(C)(C)c1ccc(C(=O)CCc2cnccn2)s1
InChIInChI=1S/C15H18N2OS/c1-15(2,3)14-7-6-13(19-14)12(18)5-4-11-10-16-8-9-17-11/h6-10H,4-5H2,1-3H3
InChIKeyYAOOIECAYYXFBL-UHFFFAOYSA-N
MW274.39 g/mol
LogP3.65
Rot. Bonds4

About 1-(5-tert-butylthiophen-2-yl)-3-pyrazin-2-ylpropan-1-one

1-(5-tert-butylthiophen-2-yl)-3-pyrazin-2-ylpropan-1-one (PubChem CID 58228758) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is 1-(5-tert-butylthiophen-2-yl)-3-pyrazin-2-ylpropan-1-one.

Molecular Properties

Compound Name1-(5-tert-butylthiophen-2-yl)-3-pyrazin-2-ylpropan-1-one
PubChem CID58228758
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC Name1-(5-tert-butylthiophen-2-yl)-3-pyrazin-2-ylpropan-1-one
SMILESCC(C)(C)c1ccc(C(=O)CCc2cnccn2)s1
InChIInChI=1S/C15H18N2OS/c1-15(2,3)14-7-6-13(19-14)12(18)5-4-11-10-16-8-9-17-11/h6-10H,4-5H2,1-3H3
InChIKeyYAOOIECAYYXFBL-UHFFFAOYSA-N
XLogP3.65
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-tert-butylthiophen-2-yl)-3-pyrazin-2-ylpropan-1-one?
The IUPAC name of 1-(5-tert-butylthiophen-2-yl)-3-pyrazin-2-ylpropan-1-one (CID 58228758) is 1-(5-tert-butylthiophen-2-yl)-3-pyrazin-2-ylpropan-1-one.
What is the SMILES notation for 1-(5-tert-butylthiophen-2-yl)-3-pyrazin-2-ylpropan-1-one?
The canonical SMILES for 1-(5-tert-butylthiophen-2-yl)-3-pyrazin-2-ylpropan-1-one is CC(C)(C)c1ccc(C(=O)CCc2cnccn2)s1.
What is the InChIKey of 1-(5-tert-butylthiophen-2-yl)-3-pyrazin-2-ylpropan-1-one?
The InChIKey is YAOOIECAYYXFBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS/c1-15(2,3)14-7-6-13(19-14)12(18)5-4-11-10-16-8-9-17-11/h6-10H,4-5H2,1-3H3.
What are the key properties of 1-(5-tert-butylthiophen-2-yl)-3-pyrazin-2-ylpropan-1-one?
1-(5-tert-butylthiophen-2-yl)-3-pyrazin-2-ylpropan-1-one has a molecular weight of 274.39 g/mol, XLogP of 3.65, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-tert-butylthiophen-2-yl)-3-pyrazin-2-ylpropan-1-one is sourced from PubChem (CID 58228758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).