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

C9H8FN3OS — CID 155342610

IUPAC5-[(4-fluorophenyl)methoxy]-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(OCc2ccc(F)cc2)s1
InChIInChI=1S/C9H8FN3OS/c10-7-3-1-6(2-4-7)5-14-9-13-12-8(11)15-9/h1-4H,5H2,(H2,11,12)
InChIKeyYAGMSRIXFYZVIJ-UHFFFAOYSA-N
MW225.25 g/mol
LogP1.84
Rot. Bonds3

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

5-[(4-fluorophenyl)methoxy]-1,3,4-thiadiazol-2-amine (PubChem CID 155342610) has the molecular formula C9H8FN3OS and a molecular weight of 225.25 g/mol. Its IUPAC name is 5-[(4-fluorophenyl)methoxy]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[(4-fluorophenyl)methoxy]-1,3,4-thiadiazol-2-amine
PubChem CID155342610
Molecular FormulaC9H8FN3OS
Molecular Weight225.25 g/mol
Exact Mass225.04
IUPAC Name5-[(4-fluorophenyl)methoxy]-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(OCc2ccc(F)cc2)s1
InChIInChI=1S/C9H8FN3OS/c10-7-3-1-6(2-4-7)5-14-9-13-12-8(11)15-9/h1-4H,5H2,(H2,11,12)
InChIKeyYAGMSRIXFYZVIJ-UHFFFAOYSA-N
XLogP1.84
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorophenyl)methoxy]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[(4-fluorophenyl)methoxy]-1,3,4-thiadiazol-2-amine (CID 155342610) is 5-[(4-fluorophenyl)methoxy]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[(4-fluorophenyl)methoxy]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[(4-fluorophenyl)methoxy]-1,3,4-thiadiazol-2-amine is Nc1nnc(OCc2ccc(F)cc2)s1.
What is the InChIKey of 5-[(4-fluorophenyl)methoxy]-1,3,4-thiadiazol-2-amine?
The InChIKey is YAGMSRIXFYZVIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FN3OS/c10-7-3-1-6(2-4-7)5-14-9-13-12-8(11)15-9/h1-4H,5H2,(H2,11,12).
What are the key properties of 5-[(4-fluorophenyl)methoxy]-1,3,4-thiadiazol-2-amine?
5-[(4-fluorophenyl)methoxy]-1,3,4-thiadiazol-2-amine has a molecular weight of 225.25 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorophenyl)methoxy]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 155342610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).