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

C9H12N2OS — CID 16770323

IUPAC2-amino-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone
SMILESNCC(=O)N1CCc2sccc2C1
InChIInChI=1S/C9H12N2OS/c10-5-9(12)11-3-1-8-7(6-11)2-4-13-8/h2,4H,1,3,5-6,10H2
InChIKeyNRRHFNCSXNXKHA-UHFFFAOYSA-N
MW196.28 g/mol
LogP0.59
Rot. Bonds1

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

2-amino-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone (PubChem CID 16770323) has the molecular formula C9H12N2OS and a molecular weight of 196.28 g/mol. Its IUPAC name is 2-amino-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone.

Molecular Properties

Compound Name2-amino-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone
PubChem CID16770323
Molecular FormulaC9H12N2OS
Molecular Weight196.28 g/mol
Exact Mass196.07
IUPAC Name2-amino-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone
SMILESNCC(=O)N1CCc2sccc2C1
InChIInChI=1S/C9H12N2OS/c10-5-9(12)11-3-1-8-7(6-11)2-4-13-8/h2,4H,1,3,5-6,10H2
InChIKeyNRRHFNCSXNXKHA-UHFFFAOYSA-N
XLogP0.59
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.28
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone?
The IUPAC name of 2-amino-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone (CID 16770323) is 2-amino-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone.
What is the SMILES notation for 2-amino-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone?
The canonical SMILES for 2-amino-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone is NCC(=O)N1CCc2sccc2C1.
What is the InChIKey of 2-amino-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone?
The InChIKey is NRRHFNCSXNXKHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2OS/c10-5-9(12)11-3-1-8-7(6-11)2-4-13-8/h2,4H,1,3,5-6,10H2.
What are the key properties of 2-amino-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone?
2-amino-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone has a molecular weight of 196.28 g/mol, XLogP of 0.59, 1 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)ethanone is sourced from PubChem (CID 16770323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).