5-(4-aminothiolan-3-yl)-N-ethyl-N-methyl-1,2,4-oxadiazol-3-amine

C9H16N4OS — CID 116809410

IUPAC5-(4-aminothiolan-3-yl)-N-ethyl-N-methyl-1,2,4-oxadiazol-3-amine
SMILESCCN(C)c1noc(C2CSCC2N)n1
InChIInChI=1S/C9H16N4OS/c1-3-13(2)9-11-8(14-12-9)6-4-15-5-7(6)10/h6-7H,3-5,10H2,1-2H3
InChIKeyGWHPZTIRPOUNCF-UHFFFAOYSA-N
MW228.32 g/mol
LogP0.68
Rot. Bonds3

About 5-(4-aminothiolan-3-yl)-N-ethyl-N-methyl-1,2,4-oxadiazol-3-amine

5-(4-aminothiolan-3-yl)-N-ethyl-N-methyl-1,2,4-oxadiazol-3-amine (PubChem CID 116809410) has the molecular formula C9H16N4OS and a molecular weight of 228.32 g/mol. Its IUPAC name is 5-(4-aminothiolan-3-yl)-N-ethyl-N-methyl-1,2,4-oxadiazol-3-amine.

Molecular Properties

Compound Name5-(4-aminothiolan-3-yl)-N-ethyl-N-methyl-1,2,4-oxadiazol-3-amine
PubChem CID116809410
Molecular FormulaC9H16N4OS
Molecular Weight228.32 g/mol
Exact Mass228.10
IUPAC Name5-(4-aminothiolan-3-yl)-N-ethyl-N-methyl-1,2,4-oxadiazol-3-amine
SMILESCCN(C)c1noc(C2CSCC2N)n1
InChIInChI=1S/C9H16N4OS/c1-3-13(2)9-11-8(14-12-9)6-4-15-5-7(6)10/h6-7H,3-5,10H2,1-2H3
InChIKeyGWHPZTIRPOUNCF-UHFFFAOYSA-N
XLogP0.68
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-ethyl-N-methyl-5-(2-methylpyrrolidin-3-yl)-1,2,4-oxadiazol-3-amine
CID 116808318
2-[3-[ethyl(methyl)amino]-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylic acid
CID 116808678
4-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine
CID 83201156
4-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine
CID 107924599
4-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine
CID 83193007
4-[3-(4-ethylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine
CID 106850054
4-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine
CID 83201416
N-ethyl-N-methyl-5-[2-(propylamino)cyclohexyl]-1,2,4-oxadiazol-3-amine
CID 116809428
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-[(2,4-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]thiolan-3-amine
CID 83201230
4-[3-(2H-triazol-4-yl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine
CID 83201649

Frequently Asked Questions

What is the IUPAC name of 5-(4-aminothiolan-3-yl)-N-ethyl-N-methyl-1,2,4-oxadiazol-3-amine?
The IUPAC name of 5-(4-aminothiolan-3-yl)-N-ethyl-N-methyl-1,2,4-oxadiazol-3-amine (CID 116809410) is 5-(4-aminothiolan-3-yl)-N-ethyl-N-methyl-1,2,4-oxadiazol-3-amine.
What is the SMILES notation for 5-(4-aminothiolan-3-yl)-N-ethyl-N-methyl-1,2,4-oxadiazol-3-amine?
The canonical SMILES for 5-(4-aminothiolan-3-yl)-N-ethyl-N-methyl-1,2,4-oxadiazol-3-amine is CCN(C)c1noc(C2CSCC2N)n1.
What is the InChIKey of 5-(4-aminothiolan-3-yl)-N-ethyl-N-methyl-1,2,4-oxadiazol-3-amine?
The InChIKey is GWHPZTIRPOUNCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4OS/c1-3-13(2)9-11-8(14-12-9)6-4-15-5-7(6)10/h6-7H,3-5,10H2,1-2H3.
What are the key properties of 5-(4-aminothiolan-3-yl)-N-ethyl-N-methyl-1,2,4-oxadiazol-3-amine?
5-(4-aminothiolan-3-yl)-N-ethyl-N-methyl-1,2,4-oxadiazol-3-amine has a molecular weight of 228.32 g/mol, XLogP of 0.68, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-aminothiolan-3-yl)-N-ethyl-N-methyl-1,2,4-oxadiazol-3-amine is sourced from PubChem (CID 116809410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).