2-amino-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]acetamide;dihydrochloride

C11H19Cl2N3OS — CID 119862338

IUPAC2-amino-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]acetamide;dihydrochloride
SMILESCl.Cl.NCC(=O)NCCN1CCc2sccc2C1
InChIInChI=1S/C11H17N3OS.2ClH/c12-7-11(15)13-3-5-14-4-1-10-9(8-14)2-6-16-10;;/h2,6H,1,3-5,7-8,12H2,(H,13,15);2*1H
InChIKeyBJLYXQAVOLIUCA-UHFFFAOYSA-N
MW312.27 g/mol
LogP1.02
Rot. Bonds4

About 2-amino-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]acetamide;dihydrochloride

2-amino-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]acetamide;dihydrochloride (PubChem CID 119862338) has the molecular formula C11H19Cl2N3OS and a molecular weight of 312.27 g/mol. Its IUPAC name is 2-amino-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]acetamide;dihydrochloride.

Molecular Properties

Compound Name2-amino-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]acetamide;dihydrochloride
PubChem CID119862338
Molecular FormulaC11H19Cl2N3OS
Molecular Weight312.27 g/mol
Exact Mass311.06
IUPAC Name2-amino-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]acetamide;dihydrochloride
SMILESCl.Cl.NCC(=O)NCCN1CCc2sccc2C1
InChIInChI=1S/C11H17N3OS.2ClH/c12-7-11(15)13-3-5-14-4-1-10-9(8-14)2-6-16-10;;/h2,6H,1,3-5,7-8,12H2,(H,13,15);2*1H
InChIKeyBJLYXQAVOLIUCA-UHFFFAOYSA-N
XLogP1.02
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.27
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-amino-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]acetamide;dihydrochloride with MolForge

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Related Compounds

4-amino-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]pentanamide;dihydrochloride
CID 120564963
N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]acetamide
CID 47139831
3-(2-aminophenyl)-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]propanamide
CID 120612672
N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]thiomorpholine-4-carboxamide
CID 60569564
3-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-1,1-diethylurea
CID 60569410
N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-2-(2-nitrophenyl)acetamide
CID 60569299
(2S,5R)-5-(aminomethyl)-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]oxolane-2-carboxamide;dihydrochloride
CID 120798949
N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]furan-3-carboxamide
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N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-2-thiomorpholin-3-ylacetamide
CID 119941544
(2S)-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 122081384
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]acetamide
CID 35484743
2-amino-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylethyl]acetamide
CID 119853305

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]acetamide;dihydrochloride?
The IUPAC name of 2-amino-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]acetamide;dihydrochloride (CID 119862338) is 2-amino-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]acetamide;dihydrochloride.
What is the SMILES notation for 2-amino-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]acetamide;dihydrochloride?
The canonical SMILES for 2-amino-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]acetamide;dihydrochloride is Cl.Cl.NCC(=O)NCCN1CCc2sccc2C1.
What is the InChIKey of 2-amino-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]acetamide;dihydrochloride?
The InChIKey is BJLYXQAVOLIUCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS.2ClH/c12-7-11(15)13-3-5-14-4-1-10-9(8-14)2-6-16-10;;/h2,6H,1,3-5,7-8,12H2,(H,13,15);2*1H.
What are the key properties of 2-amino-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]acetamide;dihydrochloride?
2-amino-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]acetamide;dihydrochloride has a molecular weight of 312.27 g/mol, XLogP of 1.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]acetamide;dihydrochloride is sourced from PubChem (CID 119862338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).