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

C7H6N2O2S2 — CID 81121442

IUPAC5-(4-methoxythiophen-2-yl)-3H-1,3,4-oxadiazole-2-thione
SMILESCOc1csc(-c2n[nH]c(=S)o2)c1
InChIInChI=1S/C7H6N2O2S2/c1-10-4-2-5(13-3-4)6-8-9-7(12)11-6/h2-3H,1H3,(H,9,12)
InChIKeyJOMUULAIMDWBAX-UHFFFAOYSA-N
MW214.27 g/mol
LogP2.47
Rot. Bonds2

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

5-(4-methoxythiophen-2-yl)-3H-1,3,4-oxadiazole-2-thione (PubChem CID 81121442) has the molecular formula C7H6N2O2S2 and a molecular weight of 214.27 g/mol. Its IUPAC name is 5-(4-methoxythiophen-2-yl)-3H-1,3,4-oxadiazole-2-thione.

Molecular Properties

Compound Name5-(4-methoxythiophen-2-yl)-3H-1,3,4-oxadiazole-2-thione
PubChem CID81121442
Molecular FormulaC7H6N2O2S2
Molecular Weight214.27 g/mol
Exact Mass213.99
IUPAC Name5-(4-methoxythiophen-2-yl)-3H-1,3,4-oxadiazole-2-thione
SMILESCOc1csc(-c2n[nH]c(=S)o2)c1
InChIInChI=1S/C7H6N2O2S2/c1-10-4-2-5(13-3-4)6-8-9-7(12)11-6/h2-3H,1H3,(H,9,12)
InChIKeyJOMUULAIMDWBAX-UHFFFAOYSA-N
XLogP2.47
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(4-methoxythiophen-2-yl)-3H-1,3,4-oxadiazole-2-thione?
The IUPAC name of 5-(4-methoxythiophen-2-yl)-3H-1,3,4-oxadiazole-2-thione (CID 81121442) is 5-(4-methoxythiophen-2-yl)-3H-1,3,4-oxadiazole-2-thione.
What is the SMILES notation for 5-(4-methoxythiophen-2-yl)-3H-1,3,4-oxadiazole-2-thione?
The canonical SMILES for 5-(4-methoxythiophen-2-yl)-3H-1,3,4-oxadiazole-2-thione is COc1csc(-c2n[nH]c(=S)o2)c1.
What is the InChIKey of 5-(4-methoxythiophen-2-yl)-3H-1,3,4-oxadiazole-2-thione?
The InChIKey is JOMUULAIMDWBAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2O2S2/c1-10-4-2-5(13-3-4)6-8-9-7(12)11-6/h2-3H,1H3,(H,9,12).
What are the key properties of 5-(4-methoxythiophen-2-yl)-3H-1,3,4-oxadiazole-2-thione?
5-(4-methoxythiophen-2-yl)-3H-1,3,4-oxadiazole-2-thione has a molecular weight of 214.27 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxythiophen-2-yl)-3H-1,3,4-oxadiazole-2-thione is sourced from PubChem (CID 81121442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).