2-(1,3-thiazol-2-yl)-3-(trifluoromethoxy)aniline

C10H7F3N2OS — CID 57296863

IUPAC2-(1,3-thiazol-2-yl)-3-(trifluoromethoxy)aniline
SMILESNc1cccc(OC(F)(F)F)c1-c1nccs1
InChIInChI=1S/C10H7F3N2OS/c11-10(12,13)16-7-3-1-2-6(14)8(7)9-15-4-5-17-9/h1-5H,14H2
InChIKeyICAGGIZDBFOTEN-UHFFFAOYSA-N
MW260.24 g/mol
LogP3.29
Rot. Bonds2

About 2-(1,3-thiazol-2-yl)-3-(trifluoromethoxy)aniline

2-(1,3-thiazol-2-yl)-3-(trifluoromethoxy)aniline (PubChem CID 57296863) has the molecular formula C10H7F3N2OS and a molecular weight of 260.24 g/mol. Its IUPAC name is 2-(1,3-thiazol-2-yl)-3-(trifluoromethoxy)aniline.

Molecular Properties

Compound Name2-(1,3-thiazol-2-yl)-3-(trifluoromethoxy)aniline
PubChem CID57296863
Molecular FormulaC10H7F3N2OS
Molecular Weight260.24 g/mol
Exact Mass260.02
IUPAC Name2-(1,3-thiazol-2-yl)-3-(trifluoromethoxy)aniline
SMILESNc1cccc(OC(F)(F)F)c1-c1nccs1
InChIInChI=1S/C10H7F3N2OS/c11-10(12,13)16-7-3-1-2-6(14)8(7)9-15-4-5-17-9/h1-5H,14H2
InChIKeyICAGGIZDBFOTEN-UHFFFAOYSA-N
XLogP3.29
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.24
LogP ≤ 53.29
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-(1,3-thiazol-2-yl)-3-(trifluoromethoxy)aniline?
The IUPAC name of 2-(1,3-thiazol-2-yl)-3-(trifluoromethoxy)aniline (CID 57296863) is 2-(1,3-thiazol-2-yl)-3-(trifluoromethoxy)aniline.
What is the SMILES notation for 2-(1,3-thiazol-2-yl)-3-(trifluoromethoxy)aniline?
The canonical SMILES for 2-(1,3-thiazol-2-yl)-3-(trifluoromethoxy)aniline is Nc1cccc(OC(F)(F)F)c1-c1nccs1.
What is the InChIKey of 2-(1,3-thiazol-2-yl)-3-(trifluoromethoxy)aniline?
The InChIKey is ICAGGIZDBFOTEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3N2OS/c11-10(12,13)16-7-3-1-2-6(14)8(7)9-15-4-5-17-9/h1-5H,14H2.
What are the key properties of 2-(1,3-thiazol-2-yl)-3-(trifluoromethoxy)aniline?
2-(1,3-thiazol-2-yl)-3-(trifluoromethoxy)aniline has a molecular weight of 260.24 g/mol, XLogP of 3.29, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-thiazol-2-yl)-3-(trifluoromethoxy)aniline is sourced from PubChem (CID 57296863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).