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

C15H12N2O2S — CID 46946283

IUPAC5-[3-(2-methoxyphenyl)phenyl]-3H-1,3,4-oxadiazole-2-thione
SMILESCOc1ccccc1-c1cccc(-c2n[nH]c(=S)o2)c1
InChIInChI=1S/C15H12N2O2S/c1-18-13-8-3-2-7-12(13)10-5-4-6-11(9-10)14-16-17-15(20)19-14/h2-9H,1H3,(H,17,20)
InChIKeyJVPXMGCNXHNQRN-UHFFFAOYSA-N
MW284.34 g/mol
LogP4.07
Rot. Bonds3

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

5-[3-(2-methoxyphenyl)phenyl]-3H-1,3,4-oxadiazole-2-thione (PubChem CID 46946283) has the molecular formula C15H12N2O2S and a molecular weight of 284.34 g/mol. Its IUPAC name is 5-[3-(2-methoxyphenyl)phenyl]-3H-1,3,4-oxadiazole-2-thione.

Molecular Properties

Compound Name5-[3-(2-methoxyphenyl)phenyl]-3H-1,3,4-oxadiazole-2-thione
PubChem CID46946283
Molecular FormulaC15H12N2O2S
Molecular Weight284.34 g/mol
Exact Mass284.06
IUPAC Name5-[3-(2-methoxyphenyl)phenyl]-3H-1,3,4-oxadiazole-2-thione
SMILESCOc1ccccc1-c1cccc(-c2n[nH]c(=S)o2)c1
InChIInChI=1S/C15H12N2O2S/c1-18-13-8-3-2-7-12(13)10-5-4-6-11(9-10)14-16-17-15(20)19-14/h2-9H,1H3,(H,17,20)
InChIKeyJVPXMGCNXHNQRN-UHFFFAOYSA-N
XLogP4.07
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(2-methoxyphenyl)phenyl]-3H-1,3,4-oxadiazole-2-thione?
The IUPAC name of 5-[3-(2-methoxyphenyl)phenyl]-3H-1,3,4-oxadiazole-2-thione (CID 46946283) is 5-[3-(2-methoxyphenyl)phenyl]-3H-1,3,4-oxadiazole-2-thione.
What is the SMILES notation for 5-[3-(2-methoxyphenyl)phenyl]-3H-1,3,4-oxadiazole-2-thione?
The canonical SMILES for 5-[3-(2-methoxyphenyl)phenyl]-3H-1,3,4-oxadiazole-2-thione is COc1ccccc1-c1cccc(-c2n[nH]c(=S)o2)c1.
What is the InChIKey of 5-[3-(2-methoxyphenyl)phenyl]-3H-1,3,4-oxadiazole-2-thione?
The InChIKey is JVPXMGCNXHNQRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2S/c1-18-13-8-3-2-7-12(13)10-5-4-6-11(9-10)14-16-17-15(20)19-14/h2-9H,1H3,(H,17,20).
What are the key properties of 5-[3-(2-methoxyphenyl)phenyl]-3H-1,3,4-oxadiazole-2-thione?
5-[3-(2-methoxyphenyl)phenyl]-3H-1,3,4-oxadiazole-2-thione has a molecular weight of 284.34 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(2-methoxyphenyl)phenyl]-3H-1,3,4-oxadiazole-2-thione is sourced from PubChem (CID 46946283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).