4-[[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazol-2-amine

C12H18N4O2S — CID 116703171

IUPAC4-[[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazol-2-amine
SMILESCCOC(c1noc(Cc2csc(N)n2)n1)C(C)C
InChIInChI=1S/C12H18N4O2S/c1-4-17-10(7(2)3)11-15-9(18-16-11)5-8-6-19-12(13)14-8/h6-7,10H,4-5H2,1-3H3,(H2,13,14)
InChIKeyDRXLEAWWOPCEOE-UHFFFAOYSA-N
MW282.37 g/mol
LogP2.43
Rot. Bonds6

About 4-[[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazol-2-amine

4-[[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazol-2-amine (PubChem CID 116703171) has the molecular formula C12H18N4O2S and a molecular weight of 282.37 g/mol. Its IUPAC name is 4-[[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazol-2-amine
PubChem CID116703171
Molecular FormulaC12H18N4O2S
Molecular Weight282.37 g/mol
Exact Mass282.12
IUPAC Name4-[[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazol-2-amine
SMILESCCOC(c1noc(Cc2csc(N)n2)n1)C(C)C
InChIInChI=1S/C12H18N4O2S/c1-4-17-10(7(2)3)11-15-9(18-16-11)5-8-6-19-12(13)14-8/h6-7,10H,4-5H2,1-3H3,(H2,13,14)
InChIKeyDRXLEAWWOPCEOE-UHFFFAOYSA-N
XLogP2.43
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 ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazol-2-amine with MolForge

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Related Compounds

4-[[3-(1-methoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazol-2-amine
CID 116704022
5-[(2-amino-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-3-amine
CID 65417058
4-[2-[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]ethyl]aniline
CID 116703230
3-[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-1,1-difluoropropan-2-ol
CID 116732876
N-[[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 116703299
5-[(2-amino-1,3-thiazol-4-yl)methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine
CID 116799505
1-[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 116732879
2-[4-[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]ethanamine
CID 116703127
1-[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-N-ethylpropan-2-amine
CID 116703119
N-[[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]butan-2-amine
CID 116703294
1-[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]butan-2-one
CID 116732618
1-[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-N,4-dimethylpentan-2-amine
CID 116733375

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazol-2-amine (CID 116703171) is 4-[[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazol-2-amine is CCOC(c1noc(Cc2csc(N)n2)n1)C(C)C.
What is the InChIKey of 4-[[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazol-2-amine?
The InChIKey is DRXLEAWWOPCEOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2S/c1-4-17-10(7(2)3)11-15-9(18-16-11)5-8-6-19-12(13)14-8/h6-7,10H,4-5H2,1-3H3,(H2,13,14).
What are the key properties of 4-[[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazol-2-amine?
4-[[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazol-2-amine has a molecular weight of 282.37 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 116703171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).