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

C11H11FN2OS — CID 62960819

IUPAC2-[(4-ethyl-1,3-thiazol-2-yl)oxy]-5-fluoroaniline
SMILESCCc1csc(Oc2ccc(F)cc2N)n1
InChIInChI=1S/C11H11FN2OS/c1-2-8-6-16-11(14-8)15-10-4-3-7(12)5-9(10)13/h3-6H,2,13H2,1H3
InChIKeyXXSWQHXWJFSFME-UHFFFAOYSA-N
MW238.29 g/mol
LogP3.22
Rot. Bonds3

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

2-[(4-ethyl-1,3-thiazol-2-yl)oxy]-5-fluoroaniline (PubChem CID 62960819) has the molecular formula C11H11FN2OS and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-[(4-ethyl-1,3-thiazol-2-yl)oxy]-5-fluoroaniline.

Molecular Properties

Compound Name2-[(4-ethyl-1,3-thiazol-2-yl)oxy]-5-fluoroaniline
PubChem CID62960819
Molecular FormulaC11H11FN2OS
Molecular Weight238.29 g/mol
Exact Mass238.06
IUPAC Name2-[(4-ethyl-1,3-thiazol-2-yl)oxy]-5-fluoroaniline
SMILESCCc1csc(Oc2ccc(F)cc2N)n1
InChIInChI=1S/C11H11FN2OS/c1-2-8-6-16-11(14-8)15-10-4-3-7(12)5-9(10)13/h3-6H,2,13H2,1H3
InChIKeyXXSWQHXWJFSFME-UHFFFAOYSA-N
XLogP3.22
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 53.22
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 2-[(4-ethyl-1,3-thiazol-2-yl)oxy]-5-fluoroaniline?
The IUPAC name of 2-[(4-ethyl-1,3-thiazol-2-yl)oxy]-5-fluoroaniline (CID 62960819) is 2-[(4-ethyl-1,3-thiazol-2-yl)oxy]-5-fluoroaniline.
What is the SMILES notation for 2-[(4-ethyl-1,3-thiazol-2-yl)oxy]-5-fluoroaniline?
The canonical SMILES for 2-[(4-ethyl-1,3-thiazol-2-yl)oxy]-5-fluoroaniline is CCc1csc(Oc2ccc(F)cc2N)n1.
What is the InChIKey of 2-[(4-ethyl-1,3-thiazol-2-yl)oxy]-5-fluoroaniline?
The InChIKey is XXSWQHXWJFSFME-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2OS/c1-2-8-6-16-11(14-8)15-10-4-3-7(12)5-9(10)13/h3-6H,2,13H2,1H3.
What are the key properties of 2-[(4-ethyl-1,3-thiazol-2-yl)oxy]-5-fluoroaniline?
2-[(4-ethyl-1,3-thiazol-2-yl)oxy]-5-fluoroaniline has a molecular weight of 238.29 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethyl-1,3-thiazol-2-yl)oxy]-5-fluoroaniline is sourced from PubChem (CID 62960819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).