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

C14H26ClN3O2S — CID 119621270

IUPACN-[2-(cycloheptylamino)ethyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide;hydrochloride
SMILESCl.O=C(CN1CSCC1=O)NCCNC1CCCCCC1
InChIInChI=1S/C14H25N3O2S.ClH/c18-13(9-17-11-20-10-14(17)19)16-8-7-15-12-5-3-1-2-4-6-12;/h12,15H,1-11H2,(H,16,18);1H
InChIKeyBNEYJXCMAHHHKJ-UHFFFAOYSA-N
MW335.90 g/mol
LogP1.37
Rot. Bonds6

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

N-[2-(cycloheptylamino)ethyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide;hydrochloride (PubChem CID 119621270) has the molecular formula C14H26ClN3O2S and a molecular weight of 335.90 g/mol. Its IUPAC name is N-[2-(cycloheptylamino)ethyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(cycloheptylamino)ethyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide;hydrochloride
PubChem CID119621270
Molecular FormulaC14H26ClN3O2S
Molecular Weight335.90 g/mol
Exact Mass335.14
IUPAC NameN-[2-(cycloheptylamino)ethyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide;hydrochloride
SMILESCl.O=C(CN1CSCC1=O)NCCNC1CCCCCC1
InChIInChI=1S/C14H25N3O2S.ClH/c18-13(9-17-11-20-10-14(17)19)16-8-7-15-12-5-3-1-2-4-6-12;/h12,15H,1-11H2,(H,16,18);1H
InChIKeyBNEYJXCMAHHHKJ-UHFFFAOYSA-N
XLogP1.37
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.90
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(cycloheptylamino)ethyl]-2-(2-oxoazocan-1-yl)acetamide;hydrochloride
CID 119621354
3-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]propanoic acid
CID 43354693
N-(5-hydroxypentyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 107319006
2-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]acetic acid
CID 43170515
N-[2-(cycloheptylamino)ethyl]-2-(1,3-dioxoisoindol-2-yl)acetamide;hydrochloride
CID 119620644
2-(4-oxo-1,3-thiazolidin-3-yl)-N-(pyrrolidin-2-ylmethyl)acetamide
CID 119514368
N-(2-cyclopropyl-2-hydroxyethyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 63295069
N'-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]cyclopropanecarbohydrazide
CID 51110368
N-(4-aminocyclohexyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 119478713
N-(1-acetylpiperidin-4-yl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 47116849
N-(3-methylcyclopentyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 114549925
N-[2-(cycloheptylamino)ethyl]-2-(2-methoxyethoxy)acetamide;hydrochloride
CID 119620939

Frequently Asked Questions

What is the IUPAC name of N-[2-(cycloheptylamino)ethyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide;hydrochloride?
The IUPAC name of N-[2-(cycloheptylamino)ethyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide;hydrochloride (CID 119621270) is N-[2-(cycloheptylamino)ethyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide;hydrochloride.
What is the SMILES notation for N-[2-(cycloheptylamino)ethyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide;hydrochloride?
The canonical SMILES for N-[2-(cycloheptylamino)ethyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide;hydrochloride is Cl.O=C(CN1CSCC1=O)NCCNC1CCCCCC1.
What is the InChIKey of N-[2-(cycloheptylamino)ethyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide;hydrochloride?
The InChIKey is BNEYJXCMAHHHKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2S.ClH/c18-13(9-17-11-20-10-14(17)19)16-8-7-15-12-5-3-1-2-4-6-12;/h12,15H,1-11H2,(H,16,18);1H.
What are the key properties of N-[2-(cycloheptylamino)ethyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide;hydrochloride?
N-[2-(cycloheptylamino)ethyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide;hydrochloride has a molecular weight of 335.90 g/mol, XLogP of 1.37, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cycloheptylamino)ethyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide;hydrochloride is sourced from PubChem (CID 119621270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).