1-[5-(4-ethylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]-2-pyrrolidin-1-ylethanamine

C12H18N6OS — CID 104635759

IUPAC1-[5-(4-ethylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]-2-pyrrolidin-1-ylethanamine
SMILESCCc1nnsc1-c1nc(C(N)CN2CCCC2)no1
InChIInChI=1S/C12H18N6OS/c1-2-9-10(20-17-15-9)12-14-11(16-19-12)8(13)7-18-5-3-4-6-18/h8H,2-7,13H2,1H3
InChIKeyWOMHUDOVAUNNAF-UHFFFAOYSA-N
MW294.38 g/mol
LogP1.25
Rot. Bonds5

About 1-[5-(4-ethylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]-2-pyrrolidin-1-ylethanamine

1-[5-(4-ethylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]-2-pyrrolidin-1-ylethanamine (PubChem CID 104635759) has the molecular formula C12H18N6OS and a molecular weight of 294.38 g/mol. Its IUPAC name is 1-[5-(4-ethylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]-2-pyrrolidin-1-ylethanamine.

Molecular Properties

Compound Name1-[5-(4-ethylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]-2-pyrrolidin-1-ylethanamine
PubChem CID104635759
Molecular FormulaC12H18N6OS
Molecular Weight294.38 g/mol
Exact Mass294.13
IUPAC Name1-[5-(4-ethylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]-2-pyrrolidin-1-ylethanamine
SMILESCCc1nnsc1-c1nc(C(N)CN2CCCC2)no1
InChIInChI=1S/C12H18N6OS/c1-2-9-10(20-17-15-9)12-14-11(16-19-12)8(13)7-18-5-3-4-6-18/h8H,2-7,13H2,1H3
InChIKeyWOMHUDOVAUNNAF-UHFFFAOYSA-N
XLogP1.25
TPSA93.96 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

1-[5-(4-propylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]butan-1-amine
CID 65207667
1-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-piperidin-1-ylethanamine
CID 104635994
1-[5-(4-ethylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 65207878
1-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]-2-piperidin-1-ylethanamine
CID 104636055
1-(5-methyl-1,2,4-oxadiazol-3-yl)-2-piperidin-1-ylethanamine
CID 104635946
1-(5-heptan-4-yl-1,2,4-oxadiazol-3-yl)-2-pyrrolidin-1-ylethanamine
CID 104635935
1-(5-pentan-3-yl-1,2,4-oxadiazol-3-yl)-2-pyrrolidin-1-ylethanamine
CID 104635871
[5-(4-ethylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]methanamine
CID 65207516
1-(5-ethoxy-1,2,4-oxadiazol-3-yl)-2-pyrrolidin-1-ylethanamine
CID 104635764
1-[5-(5-methylfuran-3-yl)-1,2,4-oxadiazol-3-yl]-2-piperidin-1-ylethanamine
CID 114822777
1-[5-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]-2-pyrrolidin-1-ylethanamine
CID 103121999
1-(5-butan-2-yl-1,2,4-oxadiazol-3-yl)-2-piperidin-1-ylethanamine
CID 113435612

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-ethylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]-2-pyrrolidin-1-ylethanamine?
The IUPAC name of 1-[5-(4-ethylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]-2-pyrrolidin-1-ylethanamine (CID 104635759) is 1-[5-(4-ethylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]-2-pyrrolidin-1-ylethanamine.
What is the SMILES notation for 1-[5-(4-ethylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]-2-pyrrolidin-1-ylethanamine?
The canonical SMILES for 1-[5-(4-ethylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]-2-pyrrolidin-1-ylethanamine is CCc1nnsc1-c1nc(C(N)CN2CCCC2)no1.
What is the InChIKey of 1-[5-(4-ethylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]-2-pyrrolidin-1-ylethanamine?
The InChIKey is WOMHUDOVAUNNAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6OS/c1-2-9-10(20-17-15-9)12-14-11(16-19-12)8(13)7-18-5-3-4-6-18/h8H,2-7,13H2,1H3.
What are the key properties of 1-[5-(4-ethylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]-2-pyrrolidin-1-ylethanamine?
1-[5-(4-ethylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]-2-pyrrolidin-1-ylethanamine has a molecular weight of 294.38 g/mol, XLogP of 1.25, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-ethylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]-2-pyrrolidin-1-ylethanamine is sourced from PubChem (CID 104635759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).