5-(2-methoxyphenyl)-3H-1,3,4-oxadiazole-2-thione

C9H8N2O2S — CID 749967

IUPAC5-(2-methoxyphenyl)-3H-1,3,4-oxadiazole-2-thione
SMILESCOc1ccccc1-c1n[nH]c(=S)o1
InChIInChI=1S/C9H8N2O2S/c1-12-7-5-3-2-4-6(7)8-10-11-9(14)13-8/h2-5H,1H3,(H,11,14)
InChIKeyDVGHKLUHJSFLIT-UHFFFAOYSA-N
MW208.24 g/mol
LogP2.41
Rot. Bonds2

About 5-(2-methoxyphenyl)-3H-1,3,4-oxadiazole-2-thione

5-(2-methoxyphenyl)-3H-1,3,4-oxadiazole-2-thione (PubChem CID 749967) has the molecular formula C9H8N2O2S and a molecular weight of 208.24 g/mol. Its IUPAC name is 5-(2-methoxyphenyl)-3H-1,3,4-oxadiazole-2-thione.

Molecular Properties

Compound Name5-(2-methoxyphenyl)-3H-1,3,4-oxadiazole-2-thione
PubChem CID749967
Molecular FormulaC9H8N2O2S
Molecular Weight208.24 g/mol
Exact Mass208.03
IUPAC Name5-(2-methoxyphenyl)-3H-1,3,4-oxadiazole-2-thione
SMILESCOc1ccccc1-c1n[nH]c(=S)o1
InChIInChI=1S/C9H8N2O2S/c1-12-7-5-3-2-4-6(7)8-10-11-9(14)13-8/h2-5H,1H3,(H,11,14)
InChIKeyDVGHKLUHJSFLIT-UHFFFAOYSA-N
XLogP2.41
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.24
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-(2-methoxyphenyl)-3H-1,3,4-oxadiazole-2-thione 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

5-(4-Methoxyphenyl)-1,3,4-oxadiazole-2-thiol
CID 683639
Sri-224
CID 9561005
Anisaldehyde, thiosemicarbazone
CID 6864775
5-(2'-Hydroxyphenyl)-2,3-dihydro-1,3,4-oxadiazole-2-thione (2)
CID 693308
5-(4-Ethoxyphenyl)-1,3,4-oxadiazole-2-thiol
CID 873479
5-(4-Methoxyphenyl)-1,3,4-oxadiazol-2(3H)-one
CID 583958
2-((2-Methoxybenzylidene)amino)-5-mercapto-1,3,4-thiadiazole (10)
CID 122172769
5-(2,5-Dimethylphenoxymethyl)-1,3,4-oxadiazole-2-thiol
CID 2433150
5-[4-(Prop-2-en-1-yloxy)phenyl]-1,3,4-oxadiazole-2-thiol
CID 3100742
5-(5-Chloro-2-methoxyphenyl)-1,3,4-oxadiazole-2(3H)-thione
CID 701063
5-(2-Ethoxyphenyl)-1,3,4-oxadiazole-2-thiol
CID 2235547
5-(3-Methoxyphenyl)-3H-1,3,4-oxadiazol-2-one
CID 14173560

Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxyphenyl)-3H-1,3,4-oxadiazole-2-thione?
The IUPAC name of 5-(2-methoxyphenyl)-3H-1,3,4-oxadiazole-2-thione (CID 749967) is 5-(2-methoxyphenyl)-3H-1,3,4-oxadiazole-2-thione.
What is the SMILES notation for 5-(2-methoxyphenyl)-3H-1,3,4-oxadiazole-2-thione?
The canonical SMILES for 5-(2-methoxyphenyl)-3H-1,3,4-oxadiazole-2-thione is COc1ccccc1-c1n[nH]c(=S)o1.
What is the InChIKey of 5-(2-methoxyphenyl)-3H-1,3,4-oxadiazole-2-thione?
The InChIKey is DVGHKLUHJSFLIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O2S/c1-12-7-5-3-2-4-6(7)8-10-11-9(14)13-8/h2-5H,1H3,(H,11,14).
What are the key properties of 5-(2-methoxyphenyl)-3H-1,3,4-oxadiazole-2-thione?
5-(2-methoxyphenyl)-3H-1,3,4-oxadiazole-2-thione has a molecular weight of 208.24 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxyphenyl)-3H-1,3,4-oxadiazole-2-thione is sourced from PubChem (CID 749967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).