3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-1,3-thiazol-2-one

C8H9N3O2S — CID 115646857

IUPAC3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-1,3-thiazol-2-one
SMILESCCc1noc(Cn2ccsc2=O)n1
InChIInChI=1S/C8H9N3O2S/c1-2-6-9-7(13-10-6)5-11-3-4-14-8(11)12/h3-4H,2,5H2,1H3
InChIKeyNJOVADZJCNMVST-UHFFFAOYSA-N
MW211.25 g/mol
LogP0.90
Rot. Bonds3

About 3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-1,3-thiazol-2-one

3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-1,3-thiazol-2-one (PubChem CID 115646857) has the molecular formula C8H9N3O2S and a molecular weight of 211.25 g/mol. Its IUPAC name is 3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-1,3-thiazol-2-one
PubChem CID115646857
Molecular FormulaC8H9N3O2S
Molecular Weight211.25 g/mol
Exact Mass211.04
IUPAC Name3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-1,3-thiazol-2-one
SMILESCCc1noc(Cn2ccsc2=O)n1
InChIInChI=1S/C8H9N3O2S/c1-2-6-9-7(13-10-6)5-11-3-4-14-8(11)12/h3-4H,2,5H2,1H3
InChIKeyNJOVADZJCNMVST-UHFFFAOYSA-N
XLogP0.90
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.25
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-1,3-thiazol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,3-thiazol-2-one
CID 115659257
1-ethyl-3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]imidazol-2-one
CID 116624283
3-bromo-1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]pyridin-2-one
CID 114761369
[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-2-yl]methanamine
CID 66408823
3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-one
CID 138042506
5-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]thieno[3,2-c]pyridin-4-one
CID 115886573
ethyl 1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-3-methylpyrrole-2-carboxylate
CID 105421775
1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]indole-5-carboxylic acid
CID 63749652
2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 115579323
1-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylpropan-2-amine
CID 64671837
3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1,3-thiazol-2-one
CID 115687973
3-[(2-methyltetrazol-5-yl)methyl]-1,3-thiazol-2-one
CID 107054418

Frequently Asked Questions

What is the IUPAC name of 3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-1,3-thiazol-2-one?
The IUPAC name of 3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-1,3-thiazol-2-one (CID 115646857) is 3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-1,3-thiazol-2-one.
What is the SMILES notation for 3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-1,3-thiazol-2-one?
The canonical SMILES for 3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-1,3-thiazol-2-one is CCc1noc(Cn2ccsc2=O)n1.
What is the InChIKey of 3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-1,3-thiazol-2-one?
The InChIKey is NJOVADZJCNMVST-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O2S/c1-2-6-9-7(13-10-6)5-11-3-4-14-8(11)12/h3-4H,2,5H2,1H3.
What are the key properties of 3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-1,3-thiazol-2-one?
3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-1,3-thiazol-2-one has a molecular weight of 211.25 g/mol, XLogP of 0.90, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-1,3-thiazol-2-one is sourced from PubChem (CID 115646857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).