1-(5-propan-2-yloxy-3-pyridinyl)-4-thiophen-2-ylbutan-1-one

C16H19NO2S — CID 105124806

IUPAC1-(5-propan-2-yloxy-3-pyridinyl)-4-thiophen-2-ylbutan-1-one
SMILESCC(C)Oc1cncc(C(=O)CCCc2cccs2)c1
InChIInChI=1S/C16H19NO2S/c1-12(2)19-14-9-13(10-17-11-14)16(18)7-3-5-15-6-4-8-20-15/h4,6,8-12H,3,5,7H2,1-2H3
InChIKeyLVAMRGZQUZLLMN-UHFFFAOYSA-N
MW289.40 g/mol
LogP4.14
Rot. Bonds7

About 1-(5-propan-2-yloxy-3-pyridinyl)-4-thiophen-2-ylbutan-1-one

1-(5-propan-2-yloxy-3-pyridinyl)-4-thiophen-2-ylbutan-1-one (PubChem CID 105124806) has the molecular formula C16H19NO2S and a molecular weight of 289.40 g/mol. Its IUPAC name is 1-(5-propan-2-yloxy-3-pyridinyl)-4-thiophen-2-ylbutan-1-one.

Molecular Properties

Compound Name1-(5-propan-2-yloxy-3-pyridinyl)-4-thiophen-2-ylbutan-1-one
PubChem CID105124806
Molecular FormulaC16H19NO2S
Molecular Weight289.40 g/mol
Exact Mass289.11
IUPAC Name1-(5-propan-2-yloxy-3-pyridinyl)-4-thiophen-2-ylbutan-1-one
SMILESCC(C)Oc1cncc(C(=O)CCCc2cccs2)c1
InChIInChI=1S/C16H19NO2S/c1-12(2)19-14-9-13(10-17-11-14)16(18)7-3-5-15-6-4-8-20-15/h4,6,8-12H,3,5,7H2,1-2H3
InChIKeyLVAMRGZQUZLLMN-UHFFFAOYSA-N
XLogP4.14
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-methoxy-3-pyridinyl)-4-thiophen-2-ylbutan-1-one
CID 105123969
1-(4-propan-2-yloxyphenyl)-4-thiophen-2-ylbutan-1-one
CID 105097435
4-phenyl-1-(5-propan-2-yloxy-3-pyridinyl)butan-1-one
CID 105124809
7-amino-1-(5-propan-2-yloxy-3-pyridinyl)heptan-1-one
CID 116551477
1-(3,4-dichlorophenyl)-4-thiophen-2-ylbutan-1-one
CID 105076244
(3-acetylphenyl) 4-thiophen-2-ylbutanoate
CID 86975484
1-[3-(difluoromethoxy)phenyl]-3-thiophen-2-ylpropan-1-one
CID 114973227
2-(2,3-difluorophenyl)-1-(5-propan-2-yloxy-3-pyridinyl)ethanone
CID 115794720
5-(thiophen-2-ylmethoxy)pyridine-3-carboxylic acid
CID 63851353
3-propan-2-yloxy-N-(thiophen-2-ylmethyl)benzamide
CID 17142466
2-amino-2-ethyl-1-(5-propan-2-yloxy-3-pyridinyl)butan-1-one
CID 116592678
1-(5-propan-2-yloxy-3-pyridinyl)-2-propylpentan-1-one
CID 115794638

Frequently Asked Questions

What is the IUPAC name of 1-(5-propan-2-yloxy-3-pyridinyl)-4-thiophen-2-ylbutan-1-one?
The IUPAC name of 1-(5-propan-2-yloxy-3-pyridinyl)-4-thiophen-2-ylbutan-1-one (CID 105124806) is 1-(5-propan-2-yloxy-3-pyridinyl)-4-thiophen-2-ylbutan-1-one.
What is the SMILES notation for 1-(5-propan-2-yloxy-3-pyridinyl)-4-thiophen-2-ylbutan-1-one?
The canonical SMILES for 1-(5-propan-2-yloxy-3-pyridinyl)-4-thiophen-2-ylbutan-1-one is CC(C)Oc1cncc(C(=O)CCCc2cccs2)c1.
What is the InChIKey of 1-(5-propan-2-yloxy-3-pyridinyl)-4-thiophen-2-ylbutan-1-one?
The InChIKey is LVAMRGZQUZLLMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2S/c1-12(2)19-14-9-13(10-17-11-14)16(18)7-3-5-15-6-4-8-20-15/h4,6,8-12H,3,5,7H2,1-2H3.
What are the key properties of 1-(5-propan-2-yloxy-3-pyridinyl)-4-thiophen-2-ylbutan-1-one?
1-(5-propan-2-yloxy-3-pyridinyl)-4-thiophen-2-ylbutan-1-one has a molecular weight of 289.40 g/mol, XLogP of 4.14, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-propan-2-yloxy-3-pyridinyl)-4-thiophen-2-ylbutan-1-one is sourced from PubChem (CID 105124806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).