3-fluoro-4-(1,2,4-thiadiazol-5-yloxy)aniline

C8H6FN3OS — CID 65273673

IUPAC3-fluoro-4-(1,2,4-thiadiazol-5-yloxy)aniline
SMILESNc1ccc(Oc2ncns2)c(F)c1
InChIInChI=1S/C8H6FN3OS/c9-6-3-5(10)1-2-7(6)13-8-11-4-12-14-8/h1-4H,10H2
InChIKeyXOOSKWUNFYNKLZ-UHFFFAOYSA-N
MW211.22 g/mol
LogP2.05
Rot. Bonds2

About 3-fluoro-4-(1,2,4-thiadiazol-5-yloxy)aniline

3-fluoro-4-(1,2,4-thiadiazol-5-yloxy)aniline (PubChem CID 65273673) has the molecular formula C8H6FN3OS and a molecular weight of 211.22 g/mol. Its IUPAC name is 3-fluoro-4-(1,2,4-thiadiazol-5-yloxy)aniline.

Molecular Properties

Compound Name3-fluoro-4-(1,2,4-thiadiazol-5-yloxy)aniline
PubChem CID65273673
Molecular FormulaC8H6FN3OS
Molecular Weight211.22 g/mol
Exact Mass211.02
IUPAC Name3-fluoro-4-(1,2,4-thiadiazol-5-yloxy)aniline
SMILESNc1ccc(Oc2ncns2)c(F)c1
InChIInChI=1S/C8H6FN3OS/c9-6-3-5(10)1-2-7(6)13-8-11-4-12-14-8/h1-4H,10H2
InChIKeyXOOSKWUNFYNKLZ-UHFFFAOYSA-N
XLogP2.05
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-(1,2,4-thiadiazol-5-yloxy)aniline?
The IUPAC name of 3-fluoro-4-(1,2,4-thiadiazol-5-yloxy)aniline (CID 65273673) is 3-fluoro-4-(1,2,4-thiadiazol-5-yloxy)aniline.
What is the SMILES notation for 3-fluoro-4-(1,2,4-thiadiazol-5-yloxy)aniline?
The canonical SMILES for 3-fluoro-4-(1,2,4-thiadiazol-5-yloxy)aniline is Nc1ccc(Oc2ncns2)c(F)c1.
What is the InChIKey of 3-fluoro-4-(1,2,4-thiadiazol-5-yloxy)aniline?
The InChIKey is XOOSKWUNFYNKLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6FN3OS/c9-6-3-5(10)1-2-7(6)13-8-11-4-12-14-8/h1-4H,10H2.
What are the key properties of 3-fluoro-4-(1,2,4-thiadiazol-5-yloxy)aniline?
3-fluoro-4-(1,2,4-thiadiazol-5-yloxy)aniline has a molecular weight of 211.22 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-(1,2,4-thiadiazol-5-yloxy)aniline is sourced from PubChem (CID 65273673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).