5-[1-(ethylamino)ethyl]-N-(2-thiomorpholin-4-ylethyl)-1,3,4-oxadiazol-2-amine

C12H23N5OS — CID 106327730

IUPAC5-[1-(ethylamino)ethyl]-N-(2-thiomorpholin-4-ylethyl)-1,3,4-oxadiazol-2-amine
SMILESCCNC(C)c1nnc(NCCN2CCSCC2)o1
InChIInChI=1S/C12H23N5OS/c1-3-13-10(2)11-15-16-12(18-11)14-4-5-17-6-8-19-9-7-17/h10,13H,3-9H2,1-2H3,(H,14,16)
InChIKeyRKHSKHFSVHTFSZ-UHFFFAOYSA-N
MW285.42 g/mol
LogP1.20
Rot. Bonds7

About 5-[1-(ethylamino)ethyl]-N-(2-thiomorpholin-4-ylethyl)-1,3,4-oxadiazol-2-amine

5-[1-(ethylamino)ethyl]-N-(2-thiomorpholin-4-ylethyl)-1,3,4-oxadiazol-2-amine (PubChem CID 106327730) has the molecular formula C12H23N5OS and a molecular weight of 285.42 g/mol. Its IUPAC name is 5-[1-(ethylamino)ethyl]-N-(2-thiomorpholin-4-ylethyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-[1-(ethylamino)ethyl]-N-(2-thiomorpholin-4-ylethyl)-1,3,4-oxadiazol-2-amine
PubChem CID106327730
Molecular FormulaC12H23N5OS
Molecular Weight285.42 g/mol
Exact Mass285.16
IUPAC Name5-[1-(ethylamino)ethyl]-N-(2-thiomorpholin-4-ylethyl)-1,3,4-oxadiazol-2-amine
SMILESCCNC(C)c1nnc(NCCN2CCSCC2)o1
InChIInChI=1S/C12H23N5OS/c1-3-13-10(2)11-15-16-12(18-11)14-4-5-17-6-8-19-9-7-17/h10,13H,3-9H2,1-2H3,(H,14,16)
InChIKeyRKHSKHFSVHTFSZ-UHFFFAOYSA-N
XLogP1.20
TPSA66.22 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.42
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-[1-(methylamino)ethyl]-N-[2-(trifluoromethylsulfanyl)ethyl]-1,3,4-oxadiazol-2-amine
CID 106434283
5-[1-(ethylamino)ethyl]-N-[2-(trifluoromethylsulfanyl)ethyl]-1,3,4-oxadiazol-2-amine
CID 106434284
5-[(tert-butylamino)methyl]-N-[2-(trifluoromethylsulfanyl)ethyl]-1,3,4-oxadiazol-2-amine
CID 106434285
5-[1-(propylamino)ethyl]-N-[2-(trifluoromethylsulfanyl)ethyl]-1,3,4-oxadiazol-2-amine
CID 106434289
5-[(propan-2-ylamino)methyl]-N-[2-(trifluoromethylsulfanyl)ethyl]-1,3,4-oxadiazol-2-amine
CID 114188438
1-[5-(4-Methylpiperazin-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 24255140
5-Thiomorpholin-3-yl-1,3,4-oxadiazol-2-amine
CID 105442110
N-[[5-(2,4-dimethylpiperazin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine
CID 105597769
1-[5-(2,4-dimethylpiperazin-1-yl)-1,3,4-oxadiazol-2-yl]-N-ethylethanamine
CID 105597778
N-[1-[5-(2,4-dimethylpiperazin-1-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine
CID 105597783
1-[5-(2,4-dimethylpiperazin-1-yl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine
CID 105597791
N-(2-ethylsulfonylethyl)-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 105789721

Frequently Asked Questions

What is the IUPAC name of 5-[1-(ethylamino)ethyl]-N-(2-thiomorpholin-4-ylethyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-[1-(ethylamino)ethyl]-N-(2-thiomorpholin-4-ylethyl)-1,3,4-oxadiazol-2-amine (CID 106327730) is 5-[1-(ethylamino)ethyl]-N-(2-thiomorpholin-4-ylethyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-[1-(ethylamino)ethyl]-N-(2-thiomorpholin-4-ylethyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-[1-(ethylamino)ethyl]-N-(2-thiomorpholin-4-ylethyl)-1,3,4-oxadiazol-2-amine is CCNC(C)c1nnc(NCCN2CCSCC2)o1.
What is the InChIKey of 5-[1-(ethylamino)ethyl]-N-(2-thiomorpholin-4-ylethyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is RKHSKHFSVHTFSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5OS/c1-3-13-10(2)11-15-16-12(18-11)14-4-5-17-6-8-19-9-7-17/h10,13H,3-9H2,1-2H3,(H,14,16).
What are the key properties of 5-[1-(ethylamino)ethyl]-N-(2-thiomorpholin-4-ylethyl)-1,3,4-oxadiazol-2-amine?
5-[1-(ethylamino)ethyl]-N-(2-thiomorpholin-4-ylethyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 285.42 g/mol, XLogP of 1.20, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(ethylamino)ethyl]-N-(2-thiomorpholin-4-ylethyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106327730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).