4-[3-(4-propan-2-ylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-amine

C12H17N5O2S — CID 79657891

IUPAC4-[3-(4-propan-2-ylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-amine
SMILESCC(C)N1CCOC(c2noc(-c3csc(N)n3)n2)C1
InChIInChI=1S/C12H17N5O2S/c1-7(2)17-3-4-18-9(5-17)10-15-11(19-16-10)8-6-20-12(13)14-8/h6-7,9H,3-5H2,1-2H3,(H2,13,14)
InChIKeyXRCKGIOSNRRUJD-UHFFFAOYSA-N
MW295.37 g/mol
LogP1.56
Rot. Bonds3

About 4-[3-(4-propan-2-ylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-amine

4-[3-(4-propan-2-ylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-amine (PubChem CID 79657891) has the molecular formula C12H17N5O2S and a molecular weight of 295.37 g/mol. Its IUPAC name is 4-[3-(4-propan-2-ylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[3-(4-propan-2-ylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-amine
PubChem CID79657891
Molecular FormulaC12H17N5O2S
Molecular Weight295.37 g/mol
Exact Mass295.11
IUPAC Name4-[3-(4-propan-2-ylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-amine
SMILESCC(C)N1CCOC(c2noc(-c3csc(N)n3)n2)C1
InChIInChI=1S/C12H17N5O2S/c1-7(2)17-3-4-18-9(5-17)10-15-11(19-16-10)8-6-20-12(13)14-8/h6-7,9H,3-5H2,1-2H3,(H2,13,14)
InChIKeyXRCKGIOSNRRUJD-UHFFFAOYSA-N
XLogP1.56
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 ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-propan-2-ylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[3-(4-propan-2-ylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-amine (CID 79657891) is 4-[3-(4-propan-2-ylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[3-(4-propan-2-ylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[3-(4-propan-2-ylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-amine is CC(C)N1CCOC(c2noc(-c3csc(N)n3)n2)C1.
What is the InChIKey of 4-[3-(4-propan-2-ylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-amine?
The InChIKey is XRCKGIOSNRRUJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O2S/c1-7(2)17-3-4-18-9(5-17)10-15-11(19-16-10)8-6-20-12(13)14-8/h6-7,9H,3-5H2,1-2H3,(H2,13,14).
What are the key properties of 4-[3-(4-propan-2-ylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-amine?
4-[3-(4-propan-2-ylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-amine has a molecular weight of 295.37 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-propan-2-ylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 79657891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).