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

C14H14N4O2S — CID 66373851

IUPAC2-[4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]ethanamine
SMILESCOc1ccccc1-c1noc(-c2csc(CCN)n2)n1
InChIInChI=1S/C14H14N4O2S/c1-19-11-5-3-2-4-9(11)13-17-14(20-18-13)10-8-21-12(16-10)6-7-15/h2-5,8H,6-7,15H2,1H3
InChIKeyBUYRUIWXEMMXOI-UHFFFAOYSA-N
MW302.36 g/mol
LogP2.37
Rot. Bonds5

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

2-[4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]ethanamine (PubChem CID 66373851) has the molecular formula C14H14N4O2S and a molecular weight of 302.36 g/mol. Its IUPAC name is 2-[4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]ethanamine.

Molecular Properties

Compound Name2-[4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]ethanamine
PubChem CID66373851
Molecular FormulaC14H14N4O2S
Molecular Weight302.36 g/mol
Exact Mass302.08
IUPAC Name2-[4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]ethanamine
SMILESCOc1ccccc1-c1noc(-c2csc(CCN)n2)n1
InChIInChI=1S/C14H14N4O2S/c1-19-11-5-3-2-4-9(11)13-17-14(20-18-13)10-8-21-12(16-10)6-7-15/h2-5,8H,6-7,15H2,1H3
InChIKeyBUYRUIWXEMMXOI-UHFFFAOYSA-N
XLogP2.37
TPSA87.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]ethanamine?
The IUPAC name of 2-[4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]ethanamine (CID 66373851) is 2-[4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]ethanamine.
What is the SMILES notation for 2-[4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]ethanamine?
The canonical SMILES for 2-[4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]ethanamine is COc1ccccc1-c1noc(-c2csc(CCN)n2)n1.
What is the InChIKey of 2-[4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]ethanamine?
The InChIKey is BUYRUIWXEMMXOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2S/c1-19-11-5-3-2-4-9(11)13-17-14(20-18-13)10-8-21-12(16-10)6-7-15/h2-5,8H,6-7,15H2,1H3.
What are the key properties of 2-[4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]ethanamine?
2-[4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]ethanamine has a molecular weight of 302.36 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]ethanamine is sourced from PubChem (CID 66373851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).