5-[[4-[(4-fluorophenyl)methoxy]phenyl]methylsulfanyl]-1,3,4-thiadiazol-2-amine

C16H14FN3OS2 — CID 47500614

IUPAC5-[[4-[(4-fluorophenyl)methoxy]phenyl]methylsulfanyl]-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(SCc2ccc(OCc3ccc(F)cc3)cc2)s1
InChIInChI=1S/C16H14FN3OS2/c17-13-5-1-11(2-6-13)9-21-14-7-3-12(4-8-14)10-22-16-20-19-15(18)23-16/h1-8H,9-10H2,(H2,18,19)
InChIKeyBWNMYLTZVYRJJS-UHFFFAOYSA-N
MW347.44 g/mol
LogP4.13
Rot. Bonds6

About 5-[[4-[(4-fluorophenyl)methoxy]phenyl]methylsulfanyl]-1,3,4-thiadiazol-2-amine

5-[[4-[(4-fluorophenyl)methoxy]phenyl]methylsulfanyl]-1,3,4-thiadiazol-2-amine (PubChem CID 47500614) has the molecular formula C16H14FN3OS2 and a molecular weight of 347.44 g/mol. Its IUPAC name is 5-[[4-[(4-fluorophenyl)methoxy]phenyl]methylsulfanyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[[4-[(4-fluorophenyl)methoxy]phenyl]methylsulfanyl]-1,3,4-thiadiazol-2-amine
PubChem CID47500614
Molecular FormulaC16H14FN3OS2
Molecular Weight347.44 g/mol
Exact Mass347.06
IUPAC Name5-[[4-[(4-fluorophenyl)methoxy]phenyl]methylsulfanyl]-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(SCc2ccc(OCc3ccc(F)cc3)cc2)s1
InChIInChI=1S/C16H14FN3OS2/c17-13-5-1-11(2-6-13)9-21-14-7-3-12(4-8-14)10-22-16-20-19-15(18)23-16/h1-8H,9-10H2,(H2,18,19)
InChIKeyBWNMYLTZVYRJJS-UHFFFAOYSA-N
XLogP4.13
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[[4-[(4-fluorophenyl)methoxy]phenyl]methylsulfanyl]-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-[[4-[(4-fluorophenyl)methoxy]phenyl]methylsulfanyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[[4-[(4-fluorophenyl)methoxy]phenyl]methylsulfanyl]-1,3,4-thiadiazol-2-amine (CID 47500614) is 5-[[4-[(4-fluorophenyl)methoxy]phenyl]methylsulfanyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[[4-[(4-fluorophenyl)methoxy]phenyl]methylsulfanyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[[4-[(4-fluorophenyl)methoxy]phenyl]methylsulfanyl]-1,3,4-thiadiazol-2-amine is Nc1nnc(SCc2ccc(OCc3ccc(F)cc3)cc2)s1.
What is the InChIKey of 5-[[4-[(4-fluorophenyl)methoxy]phenyl]methylsulfanyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is BWNMYLTZVYRJJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3OS2/c17-13-5-1-11(2-6-13)9-21-14-7-3-12(4-8-14)10-22-16-20-19-15(18)23-16/h1-8H,9-10H2,(H2,18,19).
What are the key properties of 5-[[4-[(4-fluorophenyl)methoxy]phenyl]methylsulfanyl]-1,3,4-thiadiazol-2-amine?
5-[[4-[(4-fluorophenyl)methoxy]phenyl]methylsulfanyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 347.44 g/mol, XLogP of 4.13, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[(4-fluorophenyl)methoxy]phenyl]methylsulfanyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 47500614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).