4-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine

C9H15N3O2S — CID 83201156

IUPAC4-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine
SMILESCOCCc1noc(C2CSCC2N)n1
InChIInChI=1S/C9H15N3O2S/c1-13-3-2-8-11-9(14-12-8)6-4-15-5-7(6)10/h6-7H,2-5,10H2,1H3
InChIKeyVEENNCWKIDSWHA-UHFFFAOYSA-N
MW229.30 g/mol
LogP0.42
Rot. Bonds4

About 4-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine

4-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine (PubChem CID 83201156) has the molecular formula C9H15N3O2S and a molecular weight of 229.30 g/mol. Its IUPAC name is 4-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine.

Molecular Properties

Compound Name4-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine
PubChem CID83201156
Molecular FormulaC9H15N3O2S
Molecular Weight229.30 g/mol
Exact Mass229.09
IUPAC Name4-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine
SMILESCOCCc1noc(C2CSCC2N)n1
InChIInChI=1S/C9H15N3O2S/c1-13-3-2-8-11-9(14-12-8)6-4-15-5-7(6)10/h6-7H,2-5,10H2,1H3
InChIKeyVEENNCWKIDSWHA-UHFFFAOYSA-N
XLogP0.42
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]-N-propylthiolan-3-amine
CID 83200497
5-(4-aminothiolan-3-yl)-N-ethyl-N-methyl-1,2,4-oxadiazol-3-amine
CID 116809410
4-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine
CID 107924599
4-[3-[(2,4-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]thiolan-3-amine
CID 83201230
4-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine
CID 83193007
4-[3-[cyclohexyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]thiolan-3-amine
CID 116781452
3-(2-methoxyethyl)-5-(thiolan-2-yl)-1,2,4-oxadiazole
CID 71870137
4-[3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine
CID 116781338
4-[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine
CID 83200505
4-[3-(5-methylpyrimidin-2-yl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine
CID 83191973
4-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)thiolan-3-amine
CID 83200734
4-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine
CID 83201567

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine?
The IUPAC name of 4-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine (CID 83201156) is 4-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine.
What is the SMILES notation for 4-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine?
The canonical SMILES for 4-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine is COCCc1noc(C2CSCC2N)n1.
What is the InChIKey of 4-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine?
The InChIKey is VEENNCWKIDSWHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2S/c1-13-3-2-8-11-9(14-12-8)6-4-15-5-7(6)10/h6-7H,2-5,10H2,1H3.
What are the key properties of 4-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine?
4-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine has a molecular weight of 229.30 g/mol, XLogP of 0.42, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine is sourced from PubChem (CID 83201156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).