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

C12H18N4O2S — CID 116702835

IUPAC2-[4-[3-(1-methoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]ethanamine
SMILESCOC(c1noc(-c2csc(CCN)n2)n1)C(C)C
InChIInChI=1S/C12H18N4O2S/c1-7(2)10(17-3)11-15-12(18-16-11)8-6-19-9(14-8)4-5-13/h6-7,10H,4-5,13H2,1-3H3
InChIKeyDOXUJRBAXQVDTI-UHFFFAOYSA-N
MW282.37 g/mol
LogP2.04
Rot. Bonds6

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

2-[4-[3-(1-methoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]ethanamine (PubChem CID 116702835) has the molecular formula C12H18N4O2S and a molecular weight of 282.37 g/mol. Its IUPAC name is 2-[4-[3-(1-methoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]ethanamine.

Molecular Properties

Compound Name2-[4-[3-(1-methoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]ethanamine
PubChem CID116702835
Molecular FormulaC12H18N4O2S
Molecular Weight282.37 g/mol
Exact Mass282.12
IUPAC Name2-[4-[3-(1-methoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]ethanamine
SMILESCOC(c1noc(-c2csc(CCN)n2)n1)C(C)C
InChIInChI=1S/C12H18N4O2S/c1-7(2)10(17-3)11-15-12(18-16-11)8-6-19-9(14-8)4-5-13/h6-7,10H,4-5,13H2,1-3H3
InChIKeyDOXUJRBAXQVDTI-UHFFFAOYSA-N
XLogP2.04
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 ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]ethanamine
CID 116703127
2-[4-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]ethanamine
CID 66373091
2-[4-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]ethanamine
CID 116701964
2-[4-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]ethanamine
CID 66373862
2-[4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]ethanamine
CID 66373851
2-[4-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]ethanamine
CID 116701367
2-[4-[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]ethanamine
CID 66375015
2-[4-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]ethanamine
CID 116741659
2-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]ethanamine
CID 66372888
1-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]ethanamine
CID 66374418
2-[4-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]ethanamine
CID 104797902
2-[4-[3-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]ethanamine
CID 106847328

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(1-methoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]ethanamine?
The IUPAC name of 2-[4-[3-(1-methoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]ethanamine (CID 116702835) is 2-[4-[3-(1-methoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]ethanamine.
What is the SMILES notation for 2-[4-[3-(1-methoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]ethanamine?
The canonical SMILES for 2-[4-[3-(1-methoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]ethanamine is COC(c1noc(-c2csc(CCN)n2)n1)C(C)C.
What is the InChIKey of 2-[4-[3-(1-methoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]ethanamine?
The InChIKey is DOXUJRBAXQVDTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2S/c1-7(2)10(17-3)11-15-12(18-16-11)8-6-19-9(14-8)4-5-13/h6-7,10H,4-5,13H2,1-3H3.
What are the key properties of 2-[4-[3-(1-methoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]ethanamine?
2-[4-[3-(1-methoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]ethanamine has a molecular weight of 282.37 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(1-methoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]ethanamine is sourced from PubChem (CID 116702835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).