1-[4-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]ethanamine

C12H17N5O2S — CID 79078237

IUPAC1-[4-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]ethanamine
SMILESCC(N)c1nc(-c2nc(C3CN(C)CCO3)no2)cs1
InChIInChI=1S/C12H17N5O2S/c1-7(13)12-14-8(6-20-12)11-15-10(16-19-11)9-5-17(2)3-4-18-9/h6-7,9H,3-5,13H2,1-2H3
InChIKeyFHBHRKQKFHXMDZ-UHFFFAOYSA-N
MW295.37 g/mol
LogP1.22
Rot. Bonds3

About 1-[4-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]ethanamine

1-[4-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]ethanamine (PubChem CID 79078237) has the molecular formula C12H17N5O2S and a molecular weight of 295.37 g/mol. Its IUPAC name is 1-[4-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]ethanamine.

Molecular Properties

Compound Name1-[4-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]ethanamine
PubChem CID79078237
Molecular FormulaC12H17N5O2S
Molecular Weight295.37 g/mol
Exact Mass295.11
IUPAC Name1-[4-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]ethanamine
SMILESCC(N)c1nc(-c2nc(C3CN(C)CCO3)no2)cs1
InChIInChI=1S/C12H17N5O2S/c1-7(13)12-14-8(6-20-12)11-15-10(16-19-11)9-5-17(2)3-4-18-9/h6-7,9H,3-5,13H2,1-2H3
InChIKeyFHBHRKQKFHXMDZ-UHFFFAOYSA-N
XLogP1.22
TPSA90.30 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.37
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]ethanamine?
The IUPAC name of 1-[4-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]ethanamine (CID 79078237) is 1-[4-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]ethanamine.
What is the SMILES notation for 1-[4-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]ethanamine?
The canonical SMILES for 1-[4-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]ethanamine is CC(N)c1nc(-c2nc(C3CN(C)CCO3)no2)cs1.
What is the InChIKey of 1-[4-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]ethanamine?
The InChIKey is FHBHRKQKFHXMDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O2S/c1-7(13)12-14-8(6-20-12)11-15-10(16-19-11)9-5-17(2)3-4-18-9/h6-7,9H,3-5,13H2,1-2H3.
What are the key properties of 1-[4-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]ethanamine?
1-[4-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]ethanamine has a molecular weight of 295.37 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]ethanamine is sourced from PubChem (CID 79078237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).