2-(5-amino-2-pyridinyl)-N-(2-thiomorpholin-4-ylethyl)acetamide;dihydrochloride

C13H22Cl2N4OS — CID 120643105

IUPAC2-(5-amino-2-pyridinyl)-N-(2-thiomorpholin-4-ylethyl)acetamide;dihydrochloride
SMILESCl.Cl.Nc1ccc(CC(=O)NCCN2CCSCC2)nc1
InChIInChI=1S/C13H20N4OS.2ClH/c14-11-1-2-12(16-10-11)9-13(18)15-3-4-17-5-7-19-8-6-17;;/h1-2,10H,3-9,14H2,(H,15,18);2*1H
InChIKeyFNBMHLDGORWAQC-UHFFFAOYSA-N
MW353.32 g/mol
LogP1.21
Rot. Bonds5

About 2-(5-amino-2-pyridinyl)-N-(2-thiomorpholin-4-ylethyl)acetamide;dihydrochloride

2-(5-amino-2-pyridinyl)-N-(2-thiomorpholin-4-ylethyl)acetamide;dihydrochloride (PubChem CID 120643105) has the molecular formula C13H22Cl2N4OS and a molecular weight of 353.32 g/mol. Its IUPAC name is 2-(5-amino-2-pyridinyl)-N-(2-thiomorpholin-4-ylethyl)acetamide;dihydrochloride.

Molecular Properties

Compound Name2-(5-amino-2-pyridinyl)-N-(2-thiomorpholin-4-ylethyl)acetamide;dihydrochloride
PubChem CID120643105
Molecular FormulaC13H22Cl2N4OS
Molecular Weight353.32 g/mol
Exact Mass352.09
IUPAC Name2-(5-amino-2-pyridinyl)-N-(2-thiomorpholin-4-ylethyl)acetamide;dihydrochloride
SMILESCl.Cl.Nc1ccc(CC(=O)NCCN2CCSCC2)nc1
InChIInChI=1S/C13H20N4OS.2ClH/c14-11-1-2-12(16-10-11)9-13(18)15-3-4-17-5-7-19-8-6-17;;/h1-2,10H,3-9,14H2,(H,15,18);2*1H
InChIKeyFNBMHLDGORWAQC-UHFFFAOYSA-N
XLogP1.21
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.32
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-amino-2-pyridinyl)-N-[2-(4-methylpiperidin-1-yl)ethyl]acetamide;dihydrochloride
CID 120642533
2-(2-amino-1,3-thiazol-4-yl)-N-(2-thiomorpholin-4-ylethyl)acetamide
CID 106325273
2-(5-amino-2-pyridinyl)-N-(2-cyclopropylethyl)acetamide;hydrochloride
CID 120633863
4-amino-2-chloro-N-(2-thiomorpholin-4-ylethyl)benzamide;dihydrochloride
CID 119853632
2-(5-amino-2-pyridinyl)-N-(3-oxo-3-piperidin-1-ylpropyl)acetamide
CID 107339590
1-[2-[[2-(5-amino-2-pyridinyl)acetyl]amino]ethyl]triazole-4-carboxylic acid
CID 107500286
6-[2-(1,4-thiazepan-4-yl)ethyl]pyridin-3-amine
CID 107340112
2-(5-amino-2-pyridinyl)-N-(2-methoxyethyl)acetamide
CID 107337331
2-(5-amino-2-oxo-1-pyridinyl)-N-(2-thiomorpholin-4-ylethyl)acetamide
CID 106324474
2-(5-amino-2-pyridinyl)-N-(1,4-dithian-2-ylmethyl)acetamide;hydrochloride
CID 120633463
2-(4-sulfanylphenyl)-N-(2-thiomorpholin-4-ylethyl)acetamide
CID 106327305
2-(5-amino-2-pyridinyl)-N-(3-methylsulfinylpropyl)acetamide
CID 107339670

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-2-pyridinyl)-N-(2-thiomorpholin-4-ylethyl)acetamide;dihydrochloride?
The IUPAC name of 2-(5-amino-2-pyridinyl)-N-(2-thiomorpholin-4-ylethyl)acetamide;dihydrochloride (CID 120643105) is 2-(5-amino-2-pyridinyl)-N-(2-thiomorpholin-4-ylethyl)acetamide;dihydrochloride.
What is the SMILES notation for 2-(5-amino-2-pyridinyl)-N-(2-thiomorpholin-4-ylethyl)acetamide;dihydrochloride?
The canonical SMILES for 2-(5-amino-2-pyridinyl)-N-(2-thiomorpholin-4-ylethyl)acetamide;dihydrochloride is Cl.Cl.Nc1ccc(CC(=O)NCCN2CCSCC2)nc1.
What is the InChIKey of 2-(5-amino-2-pyridinyl)-N-(2-thiomorpholin-4-ylethyl)acetamide;dihydrochloride?
The InChIKey is FNBMHLDGORWAQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4OS.2ClH/c14-11-1-2-12(16-10-11)9-13(18)15-3-4-17-5-7-19-8-6-17;;/h1-2,10H,3-9,14H2,(H,15,18);2*1H.
What are the key properties of 2-(5-amino-2-pyridinyl)-N-(2-thiomorpholin-4-ylethyl)acetamide;dihydrochloride?
2-(5-amino-2-pyridinyl)-N-(2-thiomorpholin-4-ylethyl)acetamide;dihydrochloride has a molecular weight of 353.32 g/mol, XLogP of 1.21, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-2-pyridinyl)-N-(2-thiomorpholin-4-ylethyl)acetamide;dihydrochloride is sourced from PubChem (CID 120643105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).