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

C12H16N2O2S — CID 112557132

IUPAC5-[2-(2-methoxyethylamino)ethyl]thieno[3,2-c]pyridin-4-one
SMILESCOCCNCCn1ccc2sccc2c1=O
InChIInChI=1S/C12H16N2O2S/c1-16-8-5-13-4-7-14-6-2-11-10(12(14)15)3-9-17-11/h2-3,6,9,13H,4-5,7-8H2,1H3
InChIKeyBNHRCZHGJGZTTO-UHFFFAOYSA-N
MW252.34 g/mol
LogP1.30
Rot. Bonds6

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

5-[2-(2-methoxyethylamino)ethyl]thieno[3,2-c]pyridin-4-one (PubChem CID 112557132) has the molecular formula C12H16N2O2S and a molecular weight of 252.34 g/mol. Its IUPAC name is 5-[2-(2-methoxyethylamino)ethyl]thieno[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name5-[2-(2-methoxyethylamino)ethyl]thieno[3,2-c]pyridin-4-one
PubChem CID112557132
Molecular FormulaC12H16N2O2S
Molecular Weight252.34 g/mol
Exact Mass252.09
IUPAC Name5-[2-(2-methoxyethylamino)ethyl]thieno[3,2-c]pyridin-4-one
SMILESCOCCNCCn1ccc2sccc2c1=O
InChIInChI=1S/C12H16N2O2S/c1-16-8-5-13-4-7-14-6-2-11-10(12(14)15)3-9-17-11/h2-3,6,9,13H,4-5,7-8H2,1H3
InChIKeyBNHRCZHGJGZTTO-UHFFFAOYSA-N
XLogP1.30
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[2-(2-butoxyethylamino)ethyl]thieno[3,2-c]pyridin-4-one
CID 115912105
5-[2-[3-(dimethylamino)propylamino]ethyl]thieno[3,2-c]pyridin-4-one
CID 112557134
5-[2-(prop-2-enylamino)ethyl]thieno[3,2-c]pyridin-4-one
CID 112557143
5-[2-(cyclohexylmethylamino)ethyl]thieno[3,2-c]pyridin-4-one
CID 115912100
5-ethylthieno[3,2-c]pyridin-4-one
CID 115886528
5-[2-(2-aminoethoxy)ethyl]thieno[3,2-c]pyridin-4-one
CID 103482414
5-[2-(1-thiophen-2-ylethylamino)ethyl]thieno[3,2-c]pyridin-4-one
CID 115912125
N-(1-methoxypropan-2-yl)-2-(4-oxothieno[3,2-c]pyridin-5-yl)acetamide
CID 103985530
5-(ethoxymethyl)thieno[3,2-c]pyridin-4-one
CID 104599398
5-but-2-ynylthieno[3,2-c]pyridin-4-one
CID 115886548
3-(4-oxothieno[3,2-c]pyridin-5-yl)propanoic acid
CID 112556961
5-(5-hydroxypentyl)thieno[3,2-c]pyridin-4-one
CID 112557081

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-methoxyethylamino)ethyl]thieno[3,2-c]pyridin-4-one?
The IUPAC name of 5-[2-(2-methoxyethylamino)ethyl]thieno[3,2-c]pyridin-4-one (CID 112557132) is 5-[2-(2-methoxyethylamino)ethyl]thieno[3,2-c]pyridin-4-one.
What is the SMILES notation for 5-[2-(2-methoxyethylamino)ethyl]thieno[3,2-c]pyridin-4-one?
The canonical SMILES for 5-[2-(2-methoxyethylamino)ethyl]thieno[3,2-c]pyridin-4-one is COCCNCCn1ccc2sccc2c1=O.
What is the InChIKey of 5-[2-(2-methoxyethylamino)ethyl]thieno[3,2-c]pyridin-4-one?
The InChIKey is BNHRCZHGJGZTTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2S/c1-16-8-5-13-4-7-14-6-2-11-10(12(14)15)3-9-17-11/h2-3,6,9,13H,4-5,7-8H2,1H3.
What are the key properties of 5-[2-(2-methoxyethylamino)ethyl]thieno[3,2-c]pyridin-4-one?
5-[2-(2-methoxyethylamino)ethyl]thieno[3,2-c]pyridin-4-one has a molecular weight of 252.34 g/mol, XLogP of 1.30, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-methoxyethylamino)ethyl]thieno[3,2-c]pyridin-4-one is sourced from PubChem (CID 112557132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).