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

C9H8FN3OS — CID 30772100

IUPAC3-[(4-fluorophenoxy)methyl]-1,2,4-thiadiazol-5-amine
SMILESNc1nc(COc2ccc(F)cc2)ns1
InChIInChI=1S/C9H8FN3OS/c10-6-1-3-7(4-2-6)14-5-8-12-9(11)15-13-8/h1-4H,5H2,(H2,11,12,13)
InChIKeyOOUJJMSUAYGQCS-UHFFFAOYSA-N
MW225.25 g/mol
LogP1.84
Rot. Bonds3

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

3-[(4-fluorophenoxy)methyl]-1,2,4-thiadiazol-5-amine (PubChem CID 30772100) has the molecular formula C9H8FN3OS and a molecular weight of 225.25 g/mol. Its IUPAC name is 3-[(4-fluorophenoxy)methyl]-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-[(4-fluorophenoxy)methyl]-1,2,4-thiadiazol-5-amine
PubChem CID30772100
Molecular FormulaC9H8FN3OS
Molecular Weight225.25 g/mol
Exact Mass225.04
IUPAC Name3-[(4-fluorophenoxy)methyl]-1,2,4-thiadiazol-5-amine
SMILESNc1nc(COc2ccc(F)cc2)ns1
InChIInChI=1S/C9H8FN3OS/c10-6-1-3-7(4-2-6)14-5-8-12-9(11)15-13-8/h1-4H,5H2,(H2,11,12,13)
InChIKeyOOUJJMSUAYGQCS-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 3-[(4-fluorophenoxy)methyl]-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-[(4-fluorophenoxy)methyl]-1,2,4-thiadiazol-5-amine (CID 30772100) is 3-[(4-fluorophenoxy)methyl]-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-[(4-fluorophenoxy)methyl]-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-[(4-fluorophenoxy)methyl]-1,2,4-thiadiazol-5-amine is Nc1nc(COc2ccc(F)cc2)ns1.
What is the InChIKey of 3-[(4-fluorophenoxy)methyl]-1,2,4-thiadiazol-5-amine?
The InChIKey is OOUJJMSUAYGQCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FN3OS/c10-6-1-3-7(4-2-6)14-5-8-12-9(11)15-13-8/h1-4H,5H2,(H2,11,12,13).
What are the key properties of 3-[(4-fluorophenoxy)methyl]-1,2,4-thiadiazol-5-amine?
3-[(4-fluorophenoxy)methyl]-1,2,4-thiadiazol-5-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 3-[(4-fluorophenoxy)methyl]-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 30772100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).