1-pyridin-2-yl-5-thiophen-2-ylpentan-2-one

C14H15NOS — CID 15055638

IUPAC1-pyridin-2-yl-5-thiophen-2-ylpentan-2-one
SMILESO=C(CCCc1cccs1)Cc1ccccn1
InChIInChI=1S/C14H15NOS/c16-13(11-12-5-1-2-9-15-12)6-3-7-14-8-4-10-17-14/h1-2,4-5,8-10H,3,6-7,11H2
InChIKeyHQVMMEMOQRSFHT-UHFFFAOYSA-N
MW245.35 g/mol
LogP3.28
Rot. Bonds6

About 1-pyridin-2-yl-5-thiophen-2-ylpentan-2-one

1-pyridin-2-yl-5-thiophen-2-ylpentan-2-one (PubChem CID 15055638) has the molecular formula C14H15NOS and a molecular weight of 245.35 g/mol. Its IUPAC name is 1-pyridin-2-yl-5-thiophen-2-ylpentan-2-one.

Molecular Properties

Compound Name1-pyridin-2-yl-5-thiophen-2-ylpentan-2-one
PubChem CID15055638
Molecular FormulaC14H15NOS
Molecular Weight245.35 g/mol
Exact Mass245.09
IUPAC Name1-pyridin-2-yl-5-thiophen-2-ylpentan-2-one
SMILESO=C(CCCc1cccs1)Cc1ccccn1
InChIInChI=1S/C14H15NOS/c16-13(11-12-5-1-2-9-15-12)6-3-7-14-8-4-10-17-14/h1-2,4-5,8-10H,3,6-7,11H2
InChIKeyHQVMMEMOQRSFHT-UHFFFAOYSA-N
XLogP3.28
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-pyridin-2-yl-5-thiophen-2-ylpentan-2-one?
The IUPAC name of 1-pyridin-2-yl-5-thiophen-2-ylpentan-2-one (CID 15055638) is 1-pyridin-2-yl-5-thiophen-2-ylpentan-2-one.
What is the SMILES notation for 1-pyridin-2-yl-5-thiophen-2-ylpentan-2-one?
The canonical SMILES for 1-pyridin-2-yl-5-thiophen-2-ylpentan-2-one is O=C(CCCc1cccs1)Cc1ccccn1.
What is the InChIKey of 1-pyridin-2-yl-5-thiophen-2-ylpentan-2-one?
The InChIKey is HQVMMEMOQRSFHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NOS/c16-13(11-12-5-1-2-9-15-12)6-3-7-14-8-4-10-17-14/h1-2,4-5,8-10H,3,6-7,11H2.
What are the key properties of 1-pyridin-2-yl-5-thiophen-2-ylpentan-2-one?
1-pyridin-2-yl-5-thiophen-2-ylpentan-2-one has a molecular weight of 245.35 g/mol, XLogP of 3.28, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-2-yl-5-thiophen-2-ylpentan-2-one is sourced from PubChem (CID 15055638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).