4-[3-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]propyl]-1,3-thiazol-2-amine

C12H18N4O2S — CID 80655552

IUPAC4-[3-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]propyl]-1,3-thiazol-2-amine
SMILESCOC(C)(C)c1noc(CCCc2csc(N)n2)n1
InChIInChI=1S/C12H18N4O2S/c1-12(2,17-3)10-15-9(18-16-10)6-4-5-8-7-19-11(13)14-8/h7H,4-6H2,1-3H3,(H2,13,14)
InChIKeyOJSJARMSMYEXSP-UHFFFAOYSA-N
MW282.37 g/mol
LogP2.17
Rot. Bonds6

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

4-[3-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]propyl]-1,3-thiazol-2-amine (PubChem CID 80655552) has the molecular formula C12H18N4O2S and a molecular weight of 282.37 g/mol. Its IUPAC name is 4-[3-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]propyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[3-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]propyl]-1,3-thiazol-2-amine
PubChem CID80655552
Molecular FormulaC12H18N4O2S
Molecular Weight282.37 g/mol
Exact Mass282.12
IUPAC Name4-[3-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]propyl]-1,3-thiazol-2-amine
SMILESCOC(C)(C)c1noc(CCCc2csc(N)n2)n1
InChIInChI=1S/C12H18N4O2S/c1-12(2,17-3)10-15-9(18-16-10)6-4-5-8-7-19-11(13)14-8/h7H,4-6H2,1-3H3,(H2,13,14)
InChIKeyOJSJARMSMYEXSP-UHFFFAOYSA-N
XLogP2.17
TPSA87.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]propyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[3-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]propyl]-1,3-thiazol-2-amine (CID 80655552) is 4-[3-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]propyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[3-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]propyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[3-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]propyl]-1,3-thiazol-2-amine is COC(C)(C)c1noc(CCCc2csc(N)n2)n1.
What is the InChIKey of 4-[3-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]propyl]-1,3-thiazol-2-amine?
The InChIKey is OJSJARMSMYEXSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2S/c1-12(2,17-3)10-15-9(18-16-10)6-4-5-8-7-19-11(13)14-8/h7H,4-6H2,1-3H3,(H2,13,14).
What are the key properties of 4-[3-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]propyl]-1,3-thiazol-2-amine?
4-[3-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]propyl]-1,3-thiazol-2-amine has a molecular weight of 282.37 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]propyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 80655552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).