5-(ethoxymethyl)thieno[3,2-c]pyridin-4-one

C10H11NO2S — CID 104599398

IUPAC5-(ethoxymethyl)thieno[3,2-c]pyridin-4-one
SMILESCCOCn1ccc2sccc2c1=O
InChIInChI=1S/C10H11NO2S/c1-2-13-7-11-5-3-9-8(10(11)12)4-6-14-9/h3-6H,2,7H2,1H3
InChIKeyNLVJIXGTQCRMTJ-UHFFFAOYSA-N
MW209.27 g/mol
LogP2.06
Rot. Bonds3

About 5-(ethoxymethyl)thieno[3,2-c]pyridin-4-one

5-(ethoxymethyl)thieno[3,2-c]pyridin-4-one (PubChem CID 104599398) has the molecular formula C10H11NO2S and a molecular weight of 209.27 g/mol. Its IUPAC name is 5-(ethoxymethyl)thieno[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name5-(ethoxymethyl)thieno[3,2-c]pyridin-4-one
PubChem CID104599398
Molecular FormulaC10H11NO2S
Molecular Weight209.27 g/mol
Exact Mass209.05
IUPAC Name5-(ethoxymethyl)thieno[3,2-c]pyridin-4-one
SMILESCCOCn1ccc2sccc2c1=O
InChIInChI=1S/C10H11NO2S/c1-2-13-7-11-5-3-9-8(10(11)12)4-6-14-9/h3-6H,2,7H2,1H3
InChIKeyNLVJIXGTQCRMTJ-UHFFFAOYSA-N
XLogP2.06
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-ethylthieno[3,2-c]pyridin-4-one
CID 115886528
5-[(E)-but-2-enyl]thieno[3,2-c]pyridin-4-one
CID 116626889
5-but-2-ynylthieno[3,2-c]pyridin-4-one
CID 115886548
5-[2-(2-aminoethoxy)ethyl]thieno[3,2-c]pyridin-4-one
CID 103482414
5-[2-(2-butoxyethylamino)ethyl]thieno[3,2-c]pyridin-4-one
CID 115912105
2-(4-oxothieno[3,2-c]pyridin-5-yl)acetamide
CID 115886517
3-(4-oxothieno[3,2-c]pyridin-5-yl)propanoic acid
CID 112556961
5-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]thieno[3,2-c]pyridin-4-one
CID 103985821
5-[2-(2-methoxyethylamino)ethyl]thieno[3,2-c]pyridin-4-one
CID 112557132
5-[(3,4-dimethoxyphenyl)methyl]thieno[3,2-c]pyridin-4-one
CID 103990875
5-[3-(tert-butylamino)-2-hydroxypropyl]thieno[3,2-c]pyridin-4-one
CID 112557021
5-[2-(bromomethyl)-3,3-dimethylbutyl]thieno[3,2-c]pyridin-4-one
CID 112557005

Frequently Asked Questions

What is the IUPAC name of 5-(ethoxymethyl)thieno[3,2-c]pyridin-4-one?
The IUPAC name of 5-(ethoxymethyl)thieno[3,2-c]pyridin-4-one (CID 104599398) is 5-(ethoxymethyl)thieno[3,2-c]pyridin-4-one.
What is the SMILES notation for 5-(ethoxymethyl)thieno[3,2-c]pyridin-4-one?
The canonical SMILES for 5-(ethoxymethyl)thieno[3,2-c]pyridin-4-one is CCOCn1ccc2sccc2c1=O.
What is the InChIKey of 5-(ethoxymethyl)thieno[3,2-c]pyridin-4-one?
The InChIKey is NLVJIXGTQCRMTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2S/c1-2-13-7-11-5-3-9-8(10(11)12)4-6-14-9/h3-6H,2,7H2,1H3.
What are the key properties of 5-(ethoxymethyl)thieno[3,2-c]pyridin-4-one?
5-(ethoxymethyl)thieno[3,2-c]pyridin-4-one has a molecular weight of 209.27 g/mol, XLogP of 2.06, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethoxymethyl)thieno[3,2-c]pyridin-4-one is sourced from PubChem (CID 104599398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).