3-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazolidin-4-one;hydrochloride

C11H17ClN4O2S — CID 120851157

IUPAC3-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazolidin-4-one;hydrochloride
SMILESCl.NC1(c2noc(CN3CSCC3=O)n2)CCCC1
InChIInChI=1S/C11H16N4O2S.ClH/c12-11(3-1-2-4-11)10-13-8(17-14-10)5-15-7-18-6-9(15)16;/h1-7,12H2;1H
InChIKeyUALRGBWVOWZGDI-UHFFFAOYSA-N
MW304.80 g/mol
LogP1.25
Rot. Bonds3

About 3-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazolidin-4-one;hydrochloride

3-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazolidin-4-one;hydrochloride (PubChem CID 120851157) has the molecular formula C11H17ClN4O2S and a molecular weight of 304.80 g/mol. Its IUPAC name is 3-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazolidin-4-one;hydrochloride.

Molecular Properties

Compound Name3-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazolidin-4-one;hydrochloride
PubChem CID120851157
Molecular FormulaC11H17ClN4O2S
Molecular Weight304.80 g/mol
Exact Mass304.08
IUPAC Name3-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazolidin-4-one;hydrochloride
SMILESCl.NC1(c2noc(CN3CSCC3=O)n2)CCCC1
InChIInChI=1S/C11H16N4O2S.ClH/c12-11(3-1-2-4-11)10-13-8(17-14-10)5-15-7-18-6-9(15)16;/h1-7,12H2;1H
InChIKeyUALRGBWVOWZGDI-UHFFFAOYSA-N
XLogP1.25
TPSA85.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.80
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazolidin-4-one;hydrochloride with MolForge

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Related Compounds

1-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]azocan-2-one;hydrochloride
CID 120856030
3-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazolidin-2-one;hydrochloride
CID 120862737
1-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrrolidine-2,5-dione;hydrochloride
CID 120851273
2-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]isoindole-1,3-dione;hydrochloride
CID 120850991
1-(5-pentyl-1,2,4-oxadiazol-3-yl)cyclopentan-1-amine
CID 61353102
3-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]-5,5-dimethylimidazolidine-2,4-dione;hydrochloride
CID 120855737
3-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione;hydrochloride
CID 120861919
1-[5-(2-cyclopentylethyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 61353306
1-[5-[2-(oxolan-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120852435
2-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione;hydrochloride
CID 120864329
4-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]ethyl]-1,4-benzothiazin-3-one;hydrochloride
CID 120852335
1-[5-(2,2-dimethylpropyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine
CID 61354340

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazolidin-4-one;hydrochloride?
The IUPAC name of 3-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazolidin-4-one;hydrochloride (CID 120851157) is 3-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazolidin-4-one;hydrochloride.
What is the SMILES notation for 3-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazolidin-4-one;hydrochloride?
The canonical SMILES for 3-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazolidin-4-one;hydrochloride is Cl.NC1(c2noc(CN3CSCC3=O)n2)CCCC1.
What is the InChIKey of 3-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazolidin-4-one;hydrochloride?
The InChIKey is UALRGBWVOWZGDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2S.ClH/c12-11(3-1-2-4-11)10-13-8(17-14-10)5-15-7-18-6-9(15)16;/h1-7,12H2;1H.
What are the key properties of 3-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazolidin-4-one;hydrochloride?
3-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazolidin-4-one;hydrochloride has a molecular weight of 304.80 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazolidin-4-one;hydrochloride is sourced from PubChem (CID 120851157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).