2-amino-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pentan-1-one

C12H18N2OS — CID 43650000

IUPAC2-amino-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pentan-1-one
SMILESCCCC(N)C(=O)N1CCc2sccc2C1
InChIInChI=1S/C12H18N2OS/c1-2-3-10(13)12(15)14-6-4-11-9(8-14)5-7-16-11/h5,7,10H,2-4,6,8,13H2,1H3
InChIKeyCXTITQMOQKFTEG-UHFFFAOYSA-N
MW238.36 g/mol
LogP1.76
Rot. Bonds3

About 2-amino-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pentan-1-one

2-amino-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pentan-1-one (PubChem CID 43650000) has the molecular formula C12H18N2OS and a molecular weight of 238.36 g/mol. Its IUPAC name is 2-amino-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pentan-1-one.

Molecular Properties

Compound Name2-amino-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pentan-1-one
PubChem CID43650000
Molecular FormulaC12H18N2OS
Molecular Weight238.36 g/mol
Exact Mass238.11
IUPAC Name2-amino-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pentan-1-one
SMILESCCCC(N)C(=O)N1CCc2sccc2C1
InChIInChI=1S/C12H18N2OS/c1-2-3-10(13)12(15)14-6-4-11-9(8-14)5-7-16-11/h5,7,10H,2-4,6,8,13H2,1H3
InChIKeyCXTITQMOQKFTEG-UHFFFAOYSA-N
XLogP1.76
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-amino-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pentan-1-one 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 2-amino-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pentan-1-one?
The IUPAC name of 2-amino-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pentan-1-one (CID 43650000) is 2-amino-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pentan-1-one.
What is the SMILES notation for 2-amino-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pentan-1-one?
The canonical SMILES for 2-amino-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pentan-1-one is CCCC(N)C(=O)N1CCc2sccc2C1.
What is the InChIKey of 2-amino-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pentan-1-one?
The InChIKey is CXTITQMOQKFTEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2OS/c1-2-3-10(13)12(15)14-6-4-11-9(8-14)5-7-16-11/h5,7,10H,2-4,6,8,13H2,1H3.
What are the key properties of 2-amino-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pentan-1-one?
2-amino-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pentan-1-one has a molecular weight of 238.36 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pentan-1-one is sourced from PubChem (CID 43650000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).