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

C9H11N3OS — CID 61325615

IUPAC1-[5-(5-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]ethanamine
SMILESCc1ccc(-c2nc(C(C)N)no2)s1
InChIInChI=1S/C9H11N3OS/c1-5-3-4-7(14-5)9-11-8(6(2)10)12-13-9/h3-4,6H,10H2,1-2H3
InChIKeyBEPFQRJQNFTFEK-UHFFFAOYSA-N
MW209.27 g/mol
LogP2.13
Rot. Bonds2

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

1-[5-(5-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]ethanamine (PubChem CID 61325615) has the molecular formula C9H11N3OS and a molecular weight of 209.27 g/mol. Its IUPAC name is 1-[5-(5-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]ethanamine.

Molecular Properties

Compound Name1-[5-(5-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]ethanamine
PubChem CID61325615
Molecular FormulaC9H11N3OS
Molecular Weight209.27 g/mol
Exact Mass209.06
IUPAC Name1-[5-(5-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]ethanamine
SMILESCc1ccc(-c2nc(C(C)N)no2)s1
InChIInChI=1S/C9H11N3OS/c1-5-3-4-7(14-5)9-11-8(6(2)10)12-13-9/h3-4,6H,10H2,1-2H3
InChIKeyBEPFQRJQNFTFEK-UHFFFAOYSA-N
XLogP2.13
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(5-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]ethanamine?
The IUPAC name of 1-[5-(5-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]ethanamine (CID 61325615) is 1-[5-(5-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]ethanamine.
What is the SMILES notation for 1-[5-(5-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]ethanamine?
The canonical SMILES for 1-[5-(5-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]ethanamine is Cc1ccc(-c2nc(C(C)N)no2)s1.
What is the InChIKey of 1-[5-(5-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]ethanamine?
The InChIKey is BEPFQRJQNFTFEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3OS/c1-5-3-4-7(14-5)9-11-8(6(2)10)12-13-9/h3-4,6H,10H2,1-2H3.
What are the key properties of 1-[5-(5-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]ethanamine?
1-[5-(5-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]ethanamine has a molecular weight of 209.27 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(5-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]ethanamine is sourced from PubChem (CID 61325615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).