2-(1,3-thiazol-2-ylmethoxy)-5-(trifluoromethyl)aniline

C11H9F3N2OS — CID 82007498

IUPAC2-(1,3-thiazol-2-ylmethoxy)-5-(trifluoromethyl)aniline
SMILESNc1cc(C(F)(F)F)ccc1OCc1nccs1
InChIInChI=1S/C11H9F3N2OS/c12-11(13,14)7-1-2-9(8(15)5-7)17-6-10-16-3-4-18-10/h1-5H,6,15H2
InChIKeyXZFMCVYBQYGIAY-UHFFFAOYSA-N
MW274.27 g/mol
LogP3.32
Rot. Bonds3

About 2-(1,3-thiazol-2-ylmethoxy)-5-(trifluoromethyl)aniline

2-(1,3-thiazol-2-ylmethoxy)-5-(trifluoromethyl)aniline (PubChem CID 82007498) has the molecular formula C11H9F3N2OS and a molecular weight of 274.27 g/mol. Its IUPAC name is 2-(1,3-thiazol-2-ylmethoxy)-5-(trifluoromethyl)aniline.

Molecular Properties

Compound Name2-(1,3-thiazol-2-ylmethoxy)-5-(trifluoromethyl)aniline
PubChem CID82007498
Molecular FormulaC11H9F3N2OS
Molecular Weight274.27 g/mol
Exact Mass274.04
IUPAC Name2-(1,3-thiazol-2-ylmethoxy)-5-(trifluoromethyl)aniline
SMILESNc1cc(C(F)(F)F)ccc1OCc1nccs1
InChIInChI=1S/C11H9F3N2OS/c12-11(13,14)7-1-2-9(8(15)5-7)17-6-10-16-3-4-18-10/h1-5H,6,15H2
InChIKeyXZFMCVYBQYGIAY-UHFFFAOYSA-N
XLogP3.32
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.27
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-N-[2-(1,3-thiazol-2-yl)ethyl]-4-(trifluoromethyl)benzene-1,2-diamine
CID 55218592
2-[(2-fluorophenyl)methoxy]-5-(trifluoromethyl)aniline
CID 63933444
2-[(5-bromo-2-pyridinyl)methoxy]-5-(trifluoromethyl)aniline
CID 104795950
5-(trifluoromethyl)-2-[(3,4,5-trimethoxyphenyl)methoxy]aniline
CID 19627067
2-[(2-methoxyphenyl)methoxy]-5-(trifluoromethyl)aniline
CID 19627063
4-methoxy-2-(1,3-thiazol-2-ylmethoxy)aniline
CID 102702487
2-[(1-ethyl-5-methylpyrazol-4-yl)methoxy]-5-(trifluoromethyl)aniline
CID 19627049
2-(2-pyrazol-1-ylethoxy)-5-(trifluoromethyl)aniline
CID 82008495
2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazole
CID 90922918
methyl 3-[2-amino-4-(trifluoromethyl)phenoxy]propanoate
CID 82007655
2-[2-(2-methylpyrazol-3-yl)ethoxy]-5-(trifluoromethyl)aniline
CID 102999385
1-[2-bromo-5-(trifluoromethyl)phenyl]-2-(1,3-thiazol-2-yl)ethanamine
CID 105014893

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-thiazol-2-ylmethoxy)-5-(trifluoromethyl)aniline?
The IUPAC name of 2-(1,3-thiazol-2-ylmethoxy)-5-(trifluoromethyl)aniline (CID 82007498) is 2-(1,3-thiazol-2-ylmethoxy)-5-(trifluoromethyl)aniline.
What is the SMILES notation for 2-(1,3-thiazol-2-ylmethoxy)-5-(trifluoromethyl)aniline?
The canonical SMILES for 2-(1,3-thiazol-2-ylmethoxy)-5-(trifluoromethyl)aniline is Nc1cc(C(F)(F)F)ccc1OCc1nccs1.
What is the InChIKey of 2-(1,3-thiazol-2-ylmethoxy)-5-(trifluoromethyl)aniline?
The InChIKey is XZFMCVYBQYGIAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N2OS/c12-11(13,14)7-1-2-9(8(15)5-7)17-6-10-16-3-4-18-10/h1-5H,6,15H2.
What are the key properties of 2-(1,3-thiazol-2-ylmethoxy)-5-(trifluoromethyl)aniline?
2-(1,3-thiazol-2-ylmethoxy)-5-(trifluoromethyl)aniline has a molecular weight of 274.27 g/mol, XLogP of 3.32, 3 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-ylmethoxy)-5-(trifluoromethyl)aniline is sourced from PubChem (CID 82007498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).