N-[3-(aminomethyl)pentan-3-yl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide;hydrochloride

C11H22ClN3O2S — CID 119571783

IUPACN-[3-(aminomethyl)pentan-3-yl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide;hydrochloride
SMILESCCC(CC)(CN)NC(=O)CN1CSCC1=O.Cl
InChIInChI=1S/C11H21N3O2S.ClH/c1-3-11(4-2,7-12)13-9(15)5-14-8-17-6-10(14)16;/h3-8,12H2,1-2H3,(H,13,15);1H
InChIKeyCROIQFISSNFRIN-UHFFFAOYSA-N
MW295.84 g/mol
LogP0.57
Rot. Bonds6

About N-[3-(aminomethyl)pentan-3-yl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide;hydrochloride

N-[3-(aminomethyl)pentan-3-yl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide;hydrochloride (PubChem CID 119571783) has the molecular formula C11H22ClN3O2S and a molecular weight of 295.84 g/mol. Its IUPAC name is N-[3-(aminomethyl)pentan-3-yl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(aminomethyl)pentan-3-yl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide;hydrochloride
PubChem CID119571783
Molecular FormulaC11H22ClN3O2S
Molecular Weight295.84 g/mol
Exact Mass295.11
IUPAC NameN-[3-(aminomethyl)pentan-3-yl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide;hydrochloride
SMILESCCC(CC)(CN)NC(=O)CN1CSCC1=O.Cl
InChIInChI=1S/C11H21N3O2S.ClH/c1-3-11(4-2,7-12)13-9(15)5-14-8-17-6-10(14)16;/h3-8,12H2,1-2H3,(H,13,15);1H
InChIKeyCROIQFISSNFRIN-UHFFFAOYSA-N
XLogP0.57
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.84
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-hydroxy-2-methylbutan-2-yl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 64556996
diethyl 2-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]propanedioate
CID 33247441
2-cyclopropyl-2-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]propanoic acid
CID 43360305
2-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]butanoic acid
CID 43469224
2-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]acetic acid
CID 43170515
N-(2-amino-2-oxoethoxy)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 112551088
N-[1-(hydroxymethyl)cyclohexyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 55082313
2-[[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]methyl]butanoic acid
CID 65217866
N'-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]cyclopropanecarbohydrazide
CID 51110368
3-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]propanoic acid
CID 43354693
2-(4-oxo-1,3-thiazolidin-3-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
CID 47019402
N-[2-(cycloheptylamino)ethyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide;hydrochloride
CID 119621270

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide;hydrochloride?
The IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide;hydrochloride (CID 119571783) is N-[3-(aminomethyl)pentan-3-yl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide;hydrochloride.
What is the SMILES notation for N-[3-(aminomethyl)pentan-3-yl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide;hydrochloride?
The canonical SMILES for N-[3-(aminomethyl)pentan-3-yl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide;hydrochloride is CCC(CC)(CN)NC(=O)CN1CSCC1=O.Cl.
What is the InChIKey of N-[3-(aminomethyl)pentan-3-yl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide;hydrochloride?
The InChIKey is CROIQFISSNFRIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2S.ClH/c1-3-11(4-2,7-12)13-9(15)5-14-8-17-6-10(14)16;/h3-8,12H2,1-2H3,(H,13,15);1H.
What are the key properties of N-[3-(aminomethyl)pentan-3-yl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide;hydrochloride?
N-[3-(aminomethyl)pentan-3-yl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide;hydrochloride has a molecular weight of 295.84 g/mol, XLogP of 0.57, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)pentan-3-yl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide;hydrochloride is sourced from PubChem (CID 119571783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).