[5-(3-fluorophenoxy)-1,3,4-thiadiazol-2-yl]methanamine

C9H8FN3OS — CID 80619930

IUPAC[5-(3-fluorophenoxy)-1,3,4-thiadiazol-2-yl]methanamine
SMILESNCc1nnc(Oc2cccc(F)c2)s1
InChIInChI=1S/C9H8FN3OS/c10-6-2-1-3-7(4-6)14-9-13-12-8(5-11)15-9/h1-4H,5,11H2
InChIKeyPBFBTANLDLRFFQ-UHFFFAOYSA-N
MW225.25 g/mol
LogP1.93
Rot. Bonds3

About [5-(3-fluorophenoxy)-1,3,4-thiadiazol-2-yl]methanamine

[5-(3-fluorophenoxy)-1,3,4-thiadiazol-2-yl]methanamine (PubChem CID 80619930) has the molecular formula C9H8FN3OS and a molecular weight of 225.25 g/mol. Its IUPAC name is [5-(3-fluorophenoxy)-1,3,4-thiadiazol-2-yl]methanamine.

Molecular Properties

Compound Name[5-(3-fluorophenoxy)-1,3,4-thiadiazol-2-yl]methanamine
PubChem CID80619930
Molecular FormulaC9H8FN3OS
Molecular Weight225.25 g/mol
Exact Mass225.04
IUPAC Name[5-(3-fluorophenoxy)-1,3,4-thiadiazol-2-yl]methanamine
SMILESNCc1nnc(Oc2cccc(F)c2)s1
InChIInChI=1S/C9H8FN3OS/c10-6-2-1-3-7(4-6)14-9-13-12-8(5-11)15-9/h1-4H,5,11H2
InChIKeyPBFBTANLDLRFFQ-UHFFFAOYSA-N
XLogP1.93
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 ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-(3-fluorophenoxy)-1,3,4-thiadiazol-2-yl]methanamine?
The IUPAC name of [5-(3-fluorophenoxy)-1,3,4-thiadiazol-2-yl]methanamine (CID 80619930) is [5-(3-fluorophenoxy)-1,3,4-thiadiazol-2-yl]methanamine.
What is the SMILES notation for [5-(3-fluorophenoxy)-1,3,4-thiadiazol-2-yl]methanamine?
The canonical SMILES for [5-(3-fluorophenoxy)-1,3,4-thiadiazol-2-yl]methanamine is NCc1nnc(Oc2cccc(F)c2)s1.
What is the InChIKey of [5-(3-fluorophenoxy)-1,3,4-thiadiazol-2-yl]methanamine?
The InChIKey is PBFBTANLDLRFFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FN3OS/c10-6-2-1-3-7(4-6)14-9-13-12-8(5-11)15-9/h1-4H,5,11H2.
What are the key properties of [5-(3-fluorophenoxy)-1,3,4-thiadiazol-2-yl]methanamine?
[5-(3-fluorophenoxy)-1,3,4-thiadiazol-2-yl]methanamine has a molecular weight of 225.25 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-fluorophenoxy)-1,3,4-thiadiazol-2-yl]methanamine is sourced from PubChem (CID 80619930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).