2-(1,2,4-oxadiazol-5-yl)-N-(1,3-thiazol-2-ylmethyl)ethanamine

C8H10N4OS — CID 103744486

IUPAC2-(1,2,4-oxadiazol-5-yl)-N-(1,3-thiazol-2-ylmethyl)ethanamine
SMILESc1noc(CCNCc2nccs2)n1
InChIInChI=1S/C8H10N4OS/c1(7-11-6-12-13-7)2-9-5-8-10-3-4-14-8/h3-4,6,9H,1-2,5H2
InChIKeySPYFVMBVDSGEHG-UHFFFAOYSA-N
MW210.26 g/mol
LogP0.86
Rot. Bonds5

About 2-(1,2,4-oxadiazol-5-yl)-N-(1,3-thiazol-2-ylmethyl)ethanamine

2-(1,2,4-oxadiazol-5-yl)-N-(1,3-thiazol-2-ylmethyl)ethanamine (PubChem CID 103744486) has the molecular formula C8H10N4OS and a molecular weight of 210.26 g/mol. Its IUPAC name is 2-(1,2,4-oxadiazol-5-yl)-N-(1,3-thiazol-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(1,2,4-oxadiazol-5-yl)-N-(1,3-thiazol-2-ylmethyl)ethanamine
PubChem CID103744486
Molecular FormulaC8H10N4OS
Molecular Weight210.26 g/mol
Exact Mass210.06
IUPAC Name2-(1,2,4-oxadiazol-5-yl)-N-(1,3-thiazol-2-ylmethyl)ethanamine
SMILESc1noc(CCNCc2nccs2)n1
InChIInChI=1S/C8H10N4OS/c1(7-11-6-12-13-7)2-9-5-8-10-3-4-14-8/h3-4,6,9H,1-2,5H2
InChIKeySPYFVMBVDSGEHG-UHFFFAOYSA-N
XLogP0.86
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.26
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(3-methylthiophen-2-yl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine
CID 103744500
N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine
CID 106399630
2-(1,2,4-oxadiazol-5-yl)-N-(pyrazin-2-ylmethyl)ethanamine
CID 106395144
N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine
CID 106400351
2-ethyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]butan-1-amine
CID 103838479
N-[(3-methyl-2-pyridinyl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine
CID 106400057
2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]acetonitrile
CID 106399744
3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]propane-1,2-diol
CID 106399669
N-[(2-bromophenyl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine
CID 103744517
1-(1,2-oxazol-5-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine
CID 106414886
N-[(5-methyl-2-pyridinyl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine
CID 103768738
N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-pyridin-2-ylethanamine
CID 106400344

Frequently Asked Questions

What is the IUPAC name of 2-(1,2,4-oxadiazol-5-yl)-N-(1,3-thiazol-2-ylmethyl)ethanamine?
The IUPAC name of 2-(1,2,4-oxadiazol-5-yl)-N-(1,3-thiazol-2-ylmethyl)ethanamine (CID 103744486) is 2-(1,2,4-oxadiazol-5-yl)-N-(1,3-thiazol-2-ylmethyl)ethanamine.
What is the SMILES notation for 2-(1,2,4-oxadiazol-5-yl)-N-(1,3-thiazol-2-ylmethyl)ethanamine?
The canonical SMILES for 2-(1,2,4-oxadiazol-5-yl)-N-(1,3-thiazol-2-ylmethyl)ethanamine is c1noc(CCNCc2nccs2)n1.
What is the InChIKey of 2-(1,2,4-oxadiazol-5-yl)-N-(1,3-thiazol-2-ylmethyl)ethanamine?
The InChIKey is SPYFVMBVDSGEHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4OS/c1(7-11-6-12-13-7)2-9-5-8-10-3-4-14-8/h3-4,6,9H,1-2,5H2.
What are the key properties of 2-(1,2,4-oxadiazol-5-yl)-N-(1,3-thiazol-2-ylmethyl)ethanamine?
2-(1,2,4-oxadiazol-5-yl)-N-(1,3-thiazol-2-ylmethyl)ethanamine has a molecular weight of 210.26 g/mol, XLogP of 0.86, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,4-oxadiazol-5-yl)-N-(1,3-thiazol-2-ylmethyl)ethanamine is sourced from PubChem (CID 103744486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).