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

C16H19NOS — CID 58228727

IUPAC1-(5-tert-butylthiophen-2-yl)-3-pyridin-2-ylpropan-1-one
SMILESCC(C)(C)c1ccc(C(=O)CCc2ccccn2)s1
InChIInChI=1S/C16H19NOS/c1-16(2,3)15-10-9-14(19-15)13(18)8-7-12-6-4-5-11-17-12/h4-6,9-11H,7-8H2,1-3H3
InChIKeyGXNBXOSWWGSLKD-UHFFFAOYSA-N
MW273.40 g/mol
LogP4.26
Rot. Bonds4

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

1-(5-tert-butylthiophen-2-yl)-3-pyridin-2-ylpropan-1-one (PubChem CID 58228727) has the molecular formula C16H19NOS and a molecular weight of 273.40 g/mol. Its IUPAC name is 1-(5-tert-butylthiophen-2-yl)-3-pyridin-2-ylpropan-1-one.

Molecular Properties

Compound Name1-(5-tert-butylthiophen-2-yl)-3-pyridin-2-ylpropan-1-one
PubChem CID58228727
Molecular FormulaC16H19NOS
Molecular Weight273.40 g/mol
Exact Mass273.12
IUPAC Name1-(5-tert-butylthiophen-2-yl)-3-pyridin-2-ylpropan-1-one
SMILESCC(C)(C)c1ccc(C(=O)CCc2ccccn2)s1
InChIInChI=1S/C16H19NOS/c1-16(2,3)15-10-9-14(19-15)13(18)8-7-12-6-4-5-11-17-12/h4-6,9-11H,7-8H2,1-3H3
InChIKeyGXNBXOSWWGSLKD-UHFFFAOYSA-N
XLogP4.26
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-tert-butylthiophen-2-yl)-3-pyrazin-2-ylpropan-1-one
CID 58228758
1-[5-(2-aminoacetyl)thiophen-2-yl]-3-pyridin-2-ylpropan-1-one
CID 58228779
1-(5-tert-butylthiophen-2-yl)-4-thiophen-2-ylbutane-1,4-dione
CID 144689379
1,4-dipyridin-2-ylbutan-2-one
CID 105108067
N-(2-amino-2-methylpropyl)-3-pyridin-2-ylpropanamide
CID 81483427
1-(5-ethylthiophen-2-yl)-4-pyridin-2-ylbutan-2-one
CID 105089327
N-methyl-3-pyridin-2-ylpropanamide
CID 14093010
3-pyridin-2-yl-1-[4-(trifluoromethyl)phenyl]propan-1-one
CID 105095584
1-(4-propan-2-ylphenyl)-3-pyridin-2-ylpropan-1-one
CID 105097579
N-(2-hydroxy-2-methylpropyl)-3-pyridin-2-ylpropanamide
CID 79039378
3-pyridin-2-ylpropanoyl chloride;hydrochloride
CID 87464337
2,2-dimethyl-N,N'-bis(pyridin-2-ylmethyl)propanediamide
CID 108963334

Frequently Asked Questions

What is the IUPAC name of 1-(5-tert-butylthiophen-2-yl)-3-pyridin-2-ylpropan-1-one?
The IUPAC name of 1-(5-tert-butylthiophen-2-yl)-3-pyridin-2-ylpropan-1-one (CID 58228727) is 1-(5-tert-butylthiophen-2-yl)-3-pyridin-2-ylpropan-1-one.
What is the SMILES notation for 1-(5-tert-butylthiophen-2-yl)-3-pyridin-2-ylpropan-1-one?
The canonical SMILES for 1-(5-tert-butylthiophen-2-yl)-3-pyridin-2-ylpropan-1-one is CC(C)(C)c1ccc(C(=O)CCc2ccccn2)s1.
What is the InChIKey of 1-(5-tert-butylthiophen-2-yl)-3-pyridin-2-ylpropan-1-one?
The InChIKey is GXNBXOSWWGSLKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NOS/c1-16(2,3)15-10-9-14(19-15)13(18)8-7-12-6-4-5-11-17-12/h4-6,9-11H,7-8H2,1-3H3.
What are the key properties of 1-(5-tert-butylthiophen-2-yl)-3-pyridin-2-ylpropan-1-one?
1-(5-tert-butylthiophen-2-yl)-3-pyridin-2-ylpropan-1-one has a molecular weight of 273.40 g/mol, XLogP of 4.26, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-tert-butylthiophen-2-yl)-3-pyridin-2-ylpropan-1-one is sourced from PubChem (CID 58228727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).