2-[(3-ethyl-1,2,4-thiadiazol-5-yl)oxy]-4-fluoroaniline

C10H10FN3OS — CID 65274125

IUPAC2-[(3-ethyl-1,2,4-thiadiazol-5-yl)oxy]-4-fluoroaniline
SMILESCCc1nsc(Oc2cc(F)ccc2N)n1
InChIInChI=1S/C10H10FN3OS/c1-2-9-13-10(16-14-9)15-8-5-6(11)3-4-7(8)12/h3-5H,2,12H2,1H3
InChIKeyBJRRAEWBHDEJTQ-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.61
Rot. Bonds3

About 2-[(3-ethyl-1,2,4-thiadiazol-5-yl)oxy]-4-fluoroaniline

2-[(3-ethyl-1,2,4-thiadiazol-5-yl)oxy]-4-fluoroaniline (PubChem CID 65274125) has the molecular formula C10H10FN3OS and a molecular weight of 239.28 g/mol. Its IUPAC name is 2-[(3-ethyl-1,2,4-thiadiazol-5-yl)oxy]-4-fluoroaniline.

Molecular Properties

Compound Name2-[(3-ethyl-1,2,4-thiadiazol-5-yl)oxy]-4-fluoroaniline
PubChem CID65274125
Molecular FormulaC10H10FN3OS
Molecular Weight239.28 g/mol
Exact Mass239.05
IUPAC Name2-[(3-ethyl-1,2,4-thiadiazol-5-yl)oxy]-4-fluoroaniline
SMILESCCc1nsc(Oc2cc(F)ccc2N)n1
InChIInChI=1S/C10H10FN3OS/c1-2-9-13-10(16-14-9)15-8-5-6(11)3-4-7(8)12/h3-5H,2,12H2,1H3
InChIKeyBJRRAEWBHDEJTQ-UHFFFAOYSA-N
XLogP2.61
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.61
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 2-[(3-ethyl-1,2,4-thiadiazol-5-yl)oxy]-4-fluoroaniline?
The IUPAC name of 2-[(3-ethyl-1,2,4-thiadiazol-5-yl)oxy]-4-fluoroaniline (CID 65274125) is 2-[(3-ethyl-1,2,4-thiadiazol-5-yl)oxy]-4-fluoroaniline.
What is the SMILES notation for 2-[(3-ethyl-1,2,4-thiadiazol-5-yl)oxy]-4-fluoroaniline?
The canonical SMILES for 2-[(3-ethyl-1,2,4-thiadiazol-5-yl)oxy]-4-fluoroaniline is CCc1nsc(Oc2cc(F)ccc2N)n1.
What is the InChIKey of 2-[(3-ethyl-1,2,4-thiadiazol-5-yl)oxy]-4-fluoroaniline?
The InChIKey is BJRRAEWBHDEJTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3OS/c1-2-9-13-10(16-14-9)15-8-5-6(11)3-4-7(8)12/h3-5H,2,12H2,1H3.
What are the key properties of 2-[(3-ethyl-1,2,4-thiadiazol-5-yl)oxy]-4-fluoroaniline?
2-[(3-ethyl-1,2,4-thiadiazol-5-yl)oxy]-4-fluoroaniline has a molecular weight of 239.28 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethyl-1,2,4-thiadiazol-5-yl)oxy]-4-fluoroaniline is sourced from PubChem (CID 65274125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).