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

C11H10N2O2S — CID 141479180

IUPAC5-[2-(4-methoxyphenyl)ethenyl]-3H-1,3,4-oxadiazole-2-thione
SMILESCOc1ccc(C=Cc2n[nH]c(=S)o2)cc1
InChIInChI=1S/C11H10N2O2S/c1-14-9-5-2-8(3-6-9)4-7-10-12-13-11(16)15-10/h2-7H,1H3,(H,13,16)
InChIKeyZNBMLPUDXVIZMD-UHFFFAOYSA-N
MW234.28 g/mol
LogP2.91
Rot. Bonds3

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

5-[2-(4-methoxyphenyl)ethenyl]-3H-1,3,4-oxadiazole-2-thione (PubChem CID 141479180) has the molecular formula C11H10N2O2S and a molecular weight of 234.28 g/mol. Its IUPAC name is 5-[2-(4-methoxyphenyl)ethenyl]-3H-1,3,4-oxadiazole-2-thione.

Molecular Properties

Compound Name5-[2-(4-methoxyphenyl)ethenyl]-3H-1,3,4-oxadiazole-2-thione
PubChem CID141479180
Molecular FormulaC11H10N2O2S
Molecular Weight234.28 g/mol
Exact Mass234.05
IUPAC Name5-[2-(4-methoxyphenyl)ethenyl]-3H-1,3,4-oxadiazole-2-thione
SMILESCOc1ccc(C=Cc2n[nH]c(=S)o2)cc1
InChIInChI=1S/C11H10N2O2S/c1-14-9-5-2-8(3-6-9)4-7-10-12-13-11(16)15-10/h2-7H,1H3,(H,13,16)
InChIKeyZNBMLPUDXVIZMD-UHFFFAOYSA-N
XLogP2.91
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-methoxy-4-[2-[4-[2-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]ethenyl]benzene
CID 76573307
1-methoxy-4-[2-[4-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]phenyl]ethenyl]benzene
CID 54482883
[4-(methoxymethyl)-2-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3-oxazol-5-yl]methanol
CID 59594761
3-[(E)-2-(4-methoxyphenyl)ethenyl]-1H-pyrrole
CID 67879730
1,3-dimethoxy-5-[2-(4-methoxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)ethenyl]benzene
CID 57369399
2-[2-(4-methoxyphenyl)ethenyl]-1,3-benzoxazin-4-one
CID 3122852
2-[(Z)-2-(4-methoxyphenyl)ethenyl]-6-[(E)-2-(4-methoxyphenyl)ethenyl]pyridine
CID 92532273
4-[(E)-2-(4-methoxyphenyl)ethenyl]-2,6-dimethylpyridine
CID 102336030
[(Z)-2-(4-methoxyphenyl)ethenoxy]-trimethylsilane
CID 11241544
4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-[4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-pyridinyl]pyridine
CID 54579890
1-methoxy-4-prop-1-enylbenzene
CID 67322568
2-[(E)-2-(4-methoxyphenyl)ethenyl]-5-(1-methylpyridin-1-ium-4-yl)-1,3,4-oxadiazole
CID 101351674

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-methoxyphenyl)ethenyl]-3H-1,3,4-oxadiazole-2-thione?
The IUPAC name of 5-[2-(4-methoxyphenyl)ethenyl]-3H-1,3,4-oxadiazole-2-thione (CID 141479180) is 5-[2-(4-methoxyphenyl)ethenyl]-3H-1,3,4-oxadiazole-2-thione.
What is the SMILES notation for 5-[2-(4-methoxyphenyl)ethenyl]-3H-1,3,4-oxadiazole-2-thione?
The canonical SMILES for 5-[2-(4-methoxyphenyl)ethenyl]-3H-1,3,4-oxadiazole-2-thione is COc1ccc(C=Cc2n[nH]c(=S)o2)cc1.
What is the InChIKey of 5-[2-(4-methoxyphenyl)ethenyl]-3H-1,3,4-oxadiazole-2-thione?
The InChIKey is ZNBMLPUDXVIZMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2S/c1-14-9-5-2-8(3-6-9)4-7-10-12-13-11(16)15-10/h2-7H,1H3,(H,13,16).
What are the key properties of 5-[2-(4-methoxyphenyl)ethenyl]-3H-1,3,4-oxadiazole-2-thione?
5-[2-(4-methoxyphenyl)ethenyl]-3H-1,3,4-oxadiazole-2-thione has a molecular weight of 234.28 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-methoxyphenyl)ethenyl]-3H-1,3,4-oxadiazole-2-thione is sourced from PubChem (CID 141479180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).