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

C10H15ClN4O2S — CID 120862737

IUPAC3-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazolidin-2-one;hydrochloride
SMILESCl.NC1(c2noc(CN3CCSC3=O)n2)CCC1
InChIInChI=1S/C10H14N4O2S.ClH/c11-10(2-1-3-10)8-12-7(16-13-8)6-14-4-5-17-9(14)15;/h1-6,11H2;1H
InChIKeyILAFLAQOWCVQEU-UHFFFAOYSA-N
MW290.78 g/mol
LogP1.50
Rot. Bonds3

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

3-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazolidin-2-one;hydrochloride (PubChem CID 120862737) has the molecular formula C10H15ClN4O2S and a molecular weight of 290.78 g/mol. Its IUPAC name is 3-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazolidin-2-one;hydrochloride.

Molecular Properties

Compound Name3-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazolidin-2-one;hydrochloride
PubChem CID120862737
Molecular FormulaC10H15ClN4O2S
Molecular Weight290.78 g/mol
Exact Mass290.06
IUPAC Name3-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazolidin-2-one;hydrochloride
SMILESCl.NC1(c2noc(CN3CCSC3=O)n2)CCC1
InChIInChI=1S/C10H14N4O2S.ClH/c11-10(2-1-3-10)8-12-7(16-13-8)6-14-4-5-17-9(14)15;/h1-6,11H2;1H
InChIKeyILAFLAQOWCVQEU-UHFFFAOYSA-N
XLogP1.50
TPSA85.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.78
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazolidin-4-one;hydrochloride
CID 120851157
1-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]azocan-2-one;hydrochloride
CID 120856030
2-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione;hydrochloride
CID 120864329
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-(2,2-dimethylpropyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120863268
1-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]-5-bromopyridin-2-one;hydrochloride
CID 120860417
2-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]isoindole-1,3-dione;hydrochloride
CID 120850991
1-[5-(3,3-dimethylbutyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120859920
3-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]-5,5-dimethylimidazolidine-2,4-dione;hydrochloride
CID 120855737
1-propyl-4-(5-propyl-1,2,4-oxadiazol-3-yl)azepan-4-amine
CID 65077748
4-(5-ethyl-1,2,4-oxadiazol-3-yl)thian-4-amine
CID 61339130
3-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]thieno[2,3-d]pyrimidin-4-one;hydrochloride
CID 120859273

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazolidin-2-one;hydrochloride?
The IUPAC name of 3-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazolidin-2-one;hydrochloride (CID 120862737) is 3-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazolidin-2-one;hydrochloride.
What is the SMILES notation for 3-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazolidin-2-one;hydrochloride?
The canonical SMILES for 3-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazolidin-2-one;hydrochloride is Cl.NC1(c2noc(CN3CCSC3=O)n2)CCC1.
What is the InChIKey of 3-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazolidin-2-one;hydrochloride?
The InChIKey is ILAFLAQOWCVQEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2S.ClH/c11-10(2-1-3-10)8-12-7(16-13-8)6-14-4-5-17-9(14)15;/h1-6,11H2;1H.
What are the key properties of 3-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazolidin-2-one;hydrochloride?
3-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazolidin-2-one;hydrochloride has a molecular weight of 290.78 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazolidin-2-one;hydrochloride is sourced from PubChem (CID 120862737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).