3-fluoro-4-(1,3-thiazol-2-yloxy)aniline

C9H7FN2OS — CID 43259364

IUPAC3-fluoro-4-(1,3-thiazol-2-yloxy)aniline
SMILESNc1ccc(Oc2nccs2)c(F)c1
InChIInChI=1S/C9H7FN2OS/c10-7-5-6(11)1-2-8(7)13-9-12-3-4-14-9/h1-5H,11H2
InChIKeyXYHUOZFTQRFMCK-UHFFFAOYSA-N
MW210.23 g/mol
LogP2.66
Rot. Bonds2

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

3-fluoro-4-(1,3-thiazol-2-yloxy)aniline (PubChem CID 43259364) has the molecular formula C9H7FN2OS and a molecular weight of 210.23 g/mol. Its IUPAC name is 3-fluoro-4-(1,3-thiazol-2-yloxy)aniline.

Molecular Properties

Compound Name3-fluoro-4-(1,3-thiazol-2-yloxy)aniline
PubChem CID43259364
Molecular FormulaC9H7FN2OS
Molecular Weight210.23 g/mol
Exact Mass210.03
IUPAC Name3-fluoro-4-(1,3-thiazol-2-yloxy)aniline
SMILESNc1ccc(Oc2nccs2)c(F)c1
InChIInChI=1S/C9H7FN2OS/c10-7-5-6(11)1-2-8(7)13-9-12-3-4-14-9/h1-5H,11H2
InChIKeyXYHUOZFTQRFMCK-UHFFFAOYSA-N
XLogP2.66
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(1,3-thiazol-2-yloxy)aniline?
The IUPAC name of 3-fluoro-4-(1,3-thiazol-2-yloxy)aniline (CID 43259364) is 3-fluoro-4-(1,3-thiazol-2-yloxy)aniline.
What is the SMILES notation for 3-fluoro-4-(1,3-thiazol-2-yloxy)aniline?
The canonical SMILES for 3-fluoro-4-(1,3-thiazol-2-yloxy)aniline is Nc1ccc(Oc2nccs2)c(F)c1.
What is the InChIKey of 3-fluoro-4-(1,3-thiazol-2-yloxy)aniline?
The InChIKey is XYHUOZFTQRFMCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FN2OS/c10-7-5-6(11)1-2-8(7)13-9-12-3-4-14-9/h1-5H,11H2.
What are the key properties of 3-fluoro-4-(1,3-thiazol-2-yloxy)aniline?
3-fluoro-4-(1,3-thiazol-2-yloxy)aniline has a molecular weight of 210.23 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-(1,3-thiazol-2-yloxy)aniline is sourced from PubChem (CID 43259364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).