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

C10H12BrN3OS — CID 106394239

IUPAC1-(3-bromothiophen-2-yl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]ethanamine
SMILESCC(NCCc1ncno1)c1sccc1Br
InChIInChI=1S/C10H12BrN3OS/c1-7(10-8(11)3-5-16-10)12-4-2-9-13-6-14-15-9/h3,5-7,12H,2,4H2,1H3
InChIKeyDVHXVZTVMDIGJQ-UHFFFAOYSA-N
MW302.20 g/mol
LogP2.79
Rot. Bonds5

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

1-(3-bromothiophen-2-yl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]ethanamine (PubChem CID 106394239) has the molecular formula C10H12BrN3OS and a molecular weight of 302.20 g/mol. Its IUPAC name is 1-(3-bromothiophen-2-yl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]ethanamine.

Molecular Properties

Compound Name1-(3-bromothiophen-2-yl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]ethanamine
PubChem CID106394239
Molecular FormulaC10H12BrN3OS
Molecular Weight302.20 g/mol
Exact Mass300.99
IUPAC Name1-(3-bromothiophen-2-yl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]ethanamine
SMILESCC(NCCc1ncno1)c1sccc1Br
InChIInChI=1S/C10H12BrN3OS/c1-7(10-8(11)3-5-16-10)12-4-2-9-13-6-14-15-9/h3,5-7,12H,2,4H2,1H3
InChIKeyDVHXVZTVMDIGJQ-UHFFFAOYSA-N
XLogP2.79
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.20
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromothiophen-2-yl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]ethanamine?
The IUPAC name of 1-(3-bromothiophen-2-yl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]ethanamine (CID 106394239) is 1-(3-bromothiophen-2-yl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]ethanamine.
What is the SMILES notation for 1-(3-bromothiophen-2-yl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]ethanamine?
The canonical SMILES for 1-(3-bromothiophen-2-yl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]ethanamine is CC(NCCc1ncno1)c1sccc1Br.
What is the InChIKey of 1-(3-bromothiophen-2-yl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]ethanamine?
The InChIKey is DVHXVZTVMDIGJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN3OS/c1-7(10-8(11)3-5-16-10)12-4-2-9-13-6-14-15-9/h3,5-7,12H,2,4H2,1H3.
What are the key properties of 1-(3-bromothiophen-2-yl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]ethanamine?
1-(3-bromothiophen-2-yl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]ethanamine has a molecular weight of 302.20 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromothiophen-2-yl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]ethanamine is sourced from PubChem (CID 106394239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).