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

C11H15N3OS — CID 106395540

IUPAC1-(5-methylthiophen-2-yl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]ethanamine
SMILESCc1ccc(C(C)NCCc2ncon2)s1
InChIInChI=1S/C11H15N3OS/c1-8-3-4-10(16-8)9(2)12-6-5-11-13-7-15-14-11/h3-4,7,9,12H,5-6H2,1-2H3
InChIKeyNTKNGSKKQZTLLT-UHFFFAOYSA-N
MW237.33 g/mol
LogP2.33
Rot. Bonds5

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

1-(5-methylthiophen-2-yl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]ethanamine (PubChem CID 106395540) has the molecular formula C11H15N3OS and a molecular weight of 237.33 g/mol. Its IUPAC name is 1-(5-methylthiophen-2-yl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]ethanamine.

Molecular Properties

Compound Name1-(5-methylthiophen-2-yl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]ethanamine
PubChem CID106395540
Molecular FormulaC11H15N3OS
Molecular Weight237.33 g/mol
Exact Mass237.09
IUPAC Name1-(5-methylthiophen-2-yl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]ethanamine
SMILESCc1ccc(C(C)NCCc2ncon2)s1
InChIInChI=1S/C11H15N3OS/c1-8-3-4-10(16-8)9(2)12-6-5-11-13-7-15-14-11/h3-4,7,9,12H,5-6H2,1-2H3
InChIKeyNTKNGSKKQZTLLT-UHFFFAOYSA-N
XLogP2.33
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.33
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-methylthiophen-2-yl)-N-(1,2,4-oxadiazol-3-ylmethyl)ethanamine
CID 106392519
N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1-(4-propan-2-ylphenyl)ethanamine
CID 106395538
N-[2-(3,5-difluorophenyl)ethyl]-1-(5-methylthiophen-2-yl)ethanamine
CID 62604800
3-methylsulfanyl-N-[1-(5-methylthiophen-2-yl)ethyl]propan-1-amine
CID 61473463
2-[[(1R)-1-(5-methylthiophen-2-yl)ethyl]amino]ethanol
CID 93025500
N-(2-fluoroethyl)-1-(5-methylthiophen-2-yl)ethanamine
CID 80694036
1-(2-bromophenyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]ethanamine
CID 106396340
N-[2-(1,2,4-oxadiazol-3-yl)ethyl]but-3-yn-2-amine
CID 106400759
1-(5-methylthiophen-2-yl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine
CID 106392584
N-[2-(1,2,4-oxadiazol-3-yl)ethyl]but-3-en-2-amine
CID 106400522
5-[1-[2-(1,2,4-oxadiazol-3-yl)ethylamino]ethyl]benzene-1,3-diol
CID 106396467
N-(dithiophen-2-ylmethyl)-2-(1,2,4-oxadiazol-3-yl)ethanamine
CID 106395635

Frequently Asked Questions

What is the IUPAC name of 1-(5-methylthiophen-2-yl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]ethanamine?
The IUPAC name of 1-(5-methylthiophen-2-yl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]ethanamine (CID 106395540) is 1-(5-methylthiophen-2-yl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]ethanamine.
What is the SMILES notation for 1-(5-methylthiophen-2-yl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]ethanamine?
The canonical SMILES for 1-(5-methylthiophen-2-yl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]ethanamine is Cc1ccc(C(C)NCCc2ncon2)s1.
What is the InChIKey of 1-(5-methylthiophen-2-yl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]ethanamine?
The InChIKey is NTKNGSKKQZTLLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3OS/c1-8-3-4-10(16-8)9(2)12-6-5-11-13-7-15-14-11/h3-4,7,9,12H,5-6H2,1-2H3.
What are the key properties of 1-(5-methylthiophen-2-yl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]ethanamine?
1-(5-methylthiophen-2-yl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]ethanamine has a molecular weight of 237.33 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylthiophen-2-yl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]ethanamine is sourced from PubChem (CID 106395540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).