5-[(2-fluorophenoxy)methylsulfanylmethyl]-3H-1,3,4-oxadiazole-2-thione

C10H9FN2O2S2 — CID 170565257

IUPAC5-[(2-fluorophenoxy)methylsulfanylmethyl]-3H-1,3,4-oxadiazole-2-thione
SMILESFc1ccccc1OCSCc1n[nH]c(=S)o1
InChIInChI=1S/C10H9FN2O2S2/c11-7-3-1-2-4-8(7)14-6-17-5-9-12-13-10(16)15-9/h1-4H,5-6H2,(H,13,16)
InChIKeyUSFVGFNHVZRYAR-UHFFFAOYSA-N
MW272.33 g/mol
LogP3.14
Rot. Bonds5

About 5-[(2-fluorophenoxy)methylsulfanylmethyl]-3H-1,3,4-oxadiazole-2-thione

5-[(2-fluorophenoxy)methylsulfanylmethyl]-3H-1,3,4-oxadiazole-2-thione (PubChem CID 170565257) has the molecular formula C10H9FN2O2S2 and a molecular weight of 272.33 g/mol. Its IUPAC name is 5-[(2-fluorophenoxy)methylsulfanylmethyl]-3H-1,3,4-oxadiazole-2-thione.

Molecular Properties

Compound Name5-[(2-fluorophenoxy)methylsulfanylmethyl]-3H-1,3,4-oxadiazole-2-thione
PubChem CID170565257
Molecular FormulaC10H9FN2O2S2
Molecular Weight272.33 g/mol
Exact Mass272.01
IUPAC Name5-[(2-fluorophenoxy)methylsulfanylmethyl]-3H-1,3,4-oxadiazole-2-thione
SMILESFc1ccccc1OCSCc1n[nH]c(=S)o1
InChIInChI=1S/C10H9FN2O2S2/c11-7-3-1-2-4-8(7)14-6-17-5-9-12-13-10(16)15-9/h1-4H,5-6H2,(H,13,16)
InChIKeyUSFVGFNHVZRYAR-UHFFFAOYSA-N
XLogP3.14
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 5-[(2-fluorophenoxy)methylsulfanylmethyl]-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

Frequently Asked Questions

What is the IUPAC name of 5-[(2-fluorophenoxy)methylsulfanylmethyl]-3H-1,3,4-oxadiazole-2-thione?
The IUPAC name of 5-[(2-fluorophenoxy)methylsulfanylmethyl]-3H-1,3,4-oxadiazole-2-thione (CID 170565257) is 5-[(2-fluorophenoxy)methylsulfanylmethyl]-3H-1,3,4-oxadiazole-2-thione.
What is the SMILES notation for 5-[(2-fluorophenoxy)methylsulfanylmethyl]-3H-1,3,4-oxadiazole-2-thione?
The canonical SMILES for 5-[(2-fluorophenoxy)methylsulfanylmethyl]-3H-1,3,4-oxadiazole-2-thione is Fc1ccccc1OCSCc1n[nH]c(=S)o1.
What is the InChIKey of 5-[(2-fluorophenoxy)methylsulfanylmethyl]-3H-1,3,4-oxadiazole-2-thione?
The InChIKey is USFVGFNHVZRYAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2O2S2/c11-7-3-1-2-4-8(7)14-6-17-5-9-12-13-10(16)15-9/h1-4H,5-6H2,(H,13,16).
What are the key properties of 5-[(2-fluorophenoxy)methylsulfanylmethyl]-3H-1,3,4-oxadiazole-2-thione?
5-[(2-fluorophenoxy)methylsulfanylmethyl]-3H-1,3,4-oxadiazole-2-thione has a molecular weight of 272.33 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-fluorophenoxy)methylsulfanylmethyl]-3H-1,3,4-oxadiazole-2-thione is sourced from PubChem (CID 170565257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).