(3-ethylthiophen-2-yl)-(5-methyl-3-pyridinyl)methanone

C13H13NOS — CID 115791581

IUPAC(3-ethylthiophen-2-yl)-(5-methyl-3-pyridinyl)methanone
SMILESCCc1ccsc1C(=O)c1cncc(C)c1
InChIInChI=1S/C13H13NOS/c1-3-10-4-5-16-13(10)12(15)11-6-9(2)7-14-8-11/h4-8H,3H2,1-2H3
InChIKeyXIYDAFHLPNQQKJ-UHFFFAOYSA-N
MW231.32 g/mol
LogP3.24
Rot. Bonds3

About (3-ethylthiophen-2-yl)-(5-methyl-3-pyridinyl)methanone

(3-ethylthiophen-2-yl)-(5-methyl-3-pyridinyl)methanone (PubChem CID 115791581) has the molecular formula C13H13NOS and a molecular weight of 231.32 g/mol. Its IUPAC name is (3-ethylthiophen-2-yl)-(5-methyl-3-pyridinyl)methanone.

Molecular Properties

Compound Name(3-ethylthiophen-2-yl)-(5-methyl-3-pyridinyl)methanone
PubChem CID115791581
Molecular FormulaC13H13NOS
Molecular Weight231.32 g/mol
Exact Mass231.07
IUPAC Name(3-ethylthiophen-2-yl)-(5-methyl-3-pyridinyl)methanone
SMILESCCc1ccsc1C(=O)c1cncc(C)c1
InChIInChI=1S/C13H13NOS/c1-3-10-4-5-16-13(10)12(15)11-6-9(2)7-14-8-11/h4-8H,3H2,1-2H3
InChIKeyXIYDAFHLPNQQKJ-UHFFFAOYSA-N
XLogP3.24
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3-ethylthiophen-2-yl)-(5-methyl-3-pyridinyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3-ethylthiophen-2-yl)-(5-methyl-3-pyridinyl)methanone?
The IUPAC name of (3-ethylthiophen-2-yl)-(5-methyl-3-pyridinyl)methanone (CID 115791581) is (3-ethylthiophen-2-yl)-(5-methyl-3-pyridinyl)methanone.
What is the SMILES notation for (3-ethylthiophen-2-yl)-(5-methyl-3-pyridinyl)methanone?
The canonical SMILES for (3-ethylthiophen-2-yl)-(5-methyl-3-pyridinyl)methanone is CCc1ccsc1C(=O)c1cncc(C)c1.
What is the InChIKey of (3-ethylthiophen-2-yl)-(5-methyl-3-pyridinyl)methanone?
The InChIKey is XIYDAFHLPNQQKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NOS/c1-3-10-4-5-16-13(10)12(15)11-6-9(2)7-14-8-11/h4-8H,3H2,1-2H3.
What are the key properties of (3-ethylthiophen-2-yl)-(5-methyl-3-pyridinyl)methanone?
(3-ethylthiophen-2-yl)-(5-methyl-3-pyridinyl)methanone has a molecular weight of 231.32 g/mol, XLogP of 3.24, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethylthiophen-2-yl)-(5-methyl-3-pyridinyl)methanone is sourced from PubChem (CID 115791581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).