5-[2-(4-fluorophenoxy)ethylsulfanyl]-1,3,4-thiadiazol-2-amine

C10H10FN3OS2 — CID 4811949

IUPAC5-[2-(4-fluorophenoxy)ethylsulfanyl]-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(SCCOc2ccc(F)cc2)s1
InChIInChI=1S/C10H10FN3OS2/c11-7-1-3-8(4-2-7)15-5-6-16-10-14-13-9(12)17-10/h1-4H,5-6H2,(H2,12,13)
InChIKeyVKQYRUKIIRMXNR-UHFFFAOYSA-N
MW271.34 g/mol
LogP2.43
Rot. Bonds5

About 5-[2-(4-fluorophenoxy)ethylsulfanyl]-1,3,4-thiadiazol-2-amine

5-[2-(4-fluorophenoxy)ethylsulfanyl]-1,3,4-thiadiazol-2-amine (PubChem CID 4811949) has the molecular formula C10H10FN3OS2 and a molecular weight of 271.34 g/mol. Its IUPAC name is 5-[2-(4-fluorophenoxy)ethylsulfanyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[2-(4-fluorophenoxy)ethylsulfanyl]-1,3,4-thiadiazol-2-amine
PubChem CID4811949
Molecular FormulaC10H10FN3OS2
Molecular Weight271.34 g/mol
Exact Mass271.02
IUPAC Name5-[2-(4-fluorophenoxy)ethylsulfanyl]-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(SCCOc2ccc(F)cc2)s1
InChIInChI=1S/C10H10FN3OS2/c11-7-1-3-8(4-2-7)15-5-6-16-10-14-13-9(12)17-10/h1-4H,5-6H2,(H2,12,13)
InChIKeyVKQYRUKIIRMXNR-UHFFFAOYSA-N
XLogP2.43
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-[2-(4-fluorophenoxy)ethylsulfanyl]-1,3,4-thiadiazol-2-amine 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-(4-fluorophenoxy)ethylsulfanyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[2-(4-fluorophenoxy)ethylsulfanyl]-1,3,4-thiadiazol-2-amine (CID 4811949) is 5-[2-(4-fluorophenoxy)ethylsulfanyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[2-(4-fluorophenoxy)ethylsulfanyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[2-(4-fluorophenoxy)ethylsulfanyl]-1,3,4-thiadiazol-2-amine is Nc1nnc(SCCOc2ccc(F)cc2)s1.
What is the InChIKey of 5-[2-(4-fluorophenoxy)ethylsulfanyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is VKQYRUKIIRMXNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3OS2/c11-7-1-3-8(4-2-7)15-5-6-16-10-14-13-9(12)17-10/h1-4H,5-6H2,(H2,12,13).
What are the key properties of 5-[2-(4-fluorophenoxy)ethylsulfanyl]-1,3,4-thiadiazol-2-amine?
5-[2-(4-fluorophenoxy)ethylsulfanyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 271.34 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-fluorophenoxy)ethylsulfanyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 4811949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).