4-[(4-ethyl-1,3-thiazol-2-yl)oxy]-3-(trifluoromethyl)aniline

C12H11F3N2OS — CID 62963379

IUPAC4-[(4-ethyl-1,3-thiazol-2-yl)oxy]-3-(trifluoromethyl)aniline
SMILESCCc1csc(Oc2ccc(N)cc2C(F)(F)F)n1
InChIInChI=1S/C12H11F3N2OS/c1-2-8-6-19-11(17-8)18-10-4-3-7(16)5-9(10)12(13,14)15/h3-6H,2,16H2,1H3
InChIKeyNHVGEHZKOKJTOI-UHFFFAOYSA-N
MW288.29 g/mol
LogP4.10
Rot. Bonds3

About 4-[(4-ethyl-1,3-thiazol-2-yl)oxy]-3-(trifluoromethyl)aniline

4-[(4-ethyl-1,3-thiazol-2-yl)oxy]-3-(trifluoromethyl)aniline (PubChem CID 62963379) has the molecular formula C12H11F3N2OS and a molecular weight of 288.29 g/mol. Its IUPAC name is 4-[(4-ethyl-1,3-thiazol-2-yl)oxy]-3-(trifluoromethyl)aniline.

Molecular Properties

Compound Name4-[(4-ethyl-1,3-thiazol-2-yl)oxy]-3-(trifluoromethyl)aniline
PubChem CID62963379
Molecular FormulaC12H11F3N2OS
Molecular Weight288.29 g/mol
Exact Mass288.05
IUPAC Name4-[(4-ethyl-1,3-thiazol-2-yl)oxy]-3-(trifluoromethyl)aniline
SMILESCCc1csc(Oc2ccc(N)cc2C(F)(F)F)n1
InChIInChI=1S/C12H11F3N2OS/c1-2-8-6-19-11(17-8)18-10-4-3-7(16)5-9(10)12(13,14)15/h3-6H,2,16H2,1H3
InChIKeyNHVGEHZKOKJTOI-UHFFFAOYSA-N
XLogP4.10
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.29
LogP ≤ 54.10
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 4-[(4-ethyl-1,3-thiazol-2-yl)oxy]-3-(trifluoromethyl)aniline?
The IUPAC name of 4-[(4-ethyl-1,3-thiazol-2-yl)oxy]-3-(trifluoromethyl)aniline (CID 62963379) is 4-[(4-ethyl-1,3-thiazol-2-yl)oxy]-3-(trifluoromethyl)aniline.
What is the SMILES notation for 4-[(4-ethyl-1,3-thiazol-2-yl)oxy]-3-(trifluoromethyl)aniline?
The canonical SMILES for 4-[(4-ethyl-1,3-thiazol-2-yl)oxy]-3-(trifluoromethyl)aniline is CCc1csc(Oc2ccc(N)cc2C(F)(F)F)n1.
What is the InChIKey of 4-[(4-ethyl-1,3-thiazol-2-yl)oxy]-3-(trifluoromethyl)aniline?
The InChIKey is NHVGEHZKOKJTOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2OS/c1-2-8-6-19-11(17-8)18-10-4-3-7(16)5-9(10)12(13,14)15/h3-6H,2,16H2,1H3.
What are the key properties of 4-[(4-ethyl-1,3-thiazol-2-yl)oxy]-3-(trifluoromethyl)aniline?
4-[(4-ethyl-1,3-thiazol-2-yl)oxy]-3-(trifluoromethyl)aniline has a molecular weight of 288.29 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-ethyl-1,3-thiazol-2-yl)oxy]-3-(trifluoromethyl)aniline is sourced from PubChem (CID 62963379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).