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

C9H8FN3OS — CID 62193538

IUPAC4-[(3-fluorophenoxy)methyl]thiadiazol-5-amine
SMILESNc1snnc1COc1cccc(F)c1
InChIInChI=1S/C9H8FN3OS/c10-6-2-1-3-7(4-6)14-5-8-9(11)15-13-12-8/h1-4H,5,11H2
InChIKeySQSMOIBRTWHNDQ-UHFFFAOYSA-N
MW225.25 g/mol
LogP1.84
Rot. Bonds3

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

4-[(3-fluorophenoxy)methyl]thiadiazol-5-amine (PubChem CID 62193538) has the molecular formula C9H8FN3OS and a molecular weight of 225.25 g/mol. Its IUPAC name is 4-[(3-fluorophenoxy)methyl]thiadiazol-5-amine.

Molecular Properties

Compound Name4-[(3-fluorophenoxy)methyl]thiadiazol-5-amine
PubChem CID62193538
Molecular FormulaC9H8FN3OS
Molecular Weight225.25 g/mol
Exact Mass225.04
IUPAC Name4-[(3-fluorophenoxy)methyl]thiadiazol-5-amine
SMILESNc1snnc1COc1cccc(F)c1
InChIInChI=1S/C9H8FN3OS/c10-6-2-1-3-7(4-6)14-5-8-9(11)15-13-12-8/h1-4H,5,11H2
InChIKeySQSMOIBRTWHNDQ-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 4-[(3-fluorophenoxy)methyl]thiadiazol-5-amine?
The IUPAC name of 4-[(3-fluorophenoxy)methyl]thiadiazol-5-amine (CID 62193538) is 4-[(3-fluorophenoxy)methyl]thiadiazol-5-amine.
What is the SMILES notation for 4-[(3-fluorophenoxy)methyl]thiadiazol-5-amine?
The canonical SMILES for 4-[(3-fluorophenoxy)methyl]thiadiazol-5-amine is Nc1snnc1COc1cccc(F)c1.
What is the InChIKey of 4-[(3-fluorophenoxy)methyl]thiadiazol-5-amine?
The InChIKey is SQSMOIBRTWHNDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FN3OS/c10-6-2-1-3-7(4-6)14-5-8-9(11)15-13-12-8/h1-4H,5,11H2.
What are the key properties of 4-[(3-fluorophenoxy)methyl]thiadiazol-5-amine?
4-[(3-fluorophenoxy)methyl]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 4-[(3-fluorophenoxy)methyl]thiadiazol-5-amine is sourced from PubChem (CID 62193538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).