[4-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-thiazol-2-yl]methanamine

C12H11F3N2OS — CID 62456685

IUPAC[4-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-thiazol-2-yl]methanamine
SMILESNCc1nc(COc2cccc(C(F)(F)F)c2)cs1
InChIInChI=1S/C12H11F3N2OS/c13-12(14,15)8-2-1-3-10(4-8)18-6-9-7-19-11(5-16)17-9/h1-4,7H,5-6,16H2
InChIKeyMWSHYKNMGZCNJN-UHFFFAOYSA-N
MW288.29 g/mol
LogP3.20
Rot. Bonds4

About [4-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-thiazol-2-yl]methanamine

[4-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-thiazol-2-yl]methanamine (PubChem CID 62456685) has the molecular formula C12H11F3N2OS and a molecular weight of 288.29 g/mol. Its IUPAC name is [4-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-thiazol-2-yl]methanamine.

Molecular Properties

Compound Name[4-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-thiazol-2-yl]methanamine
PubChem CID62456685
Molecular FormulaC12H11F3N2OS
Molecular Weight288.29 g/mol
Exact Mass288.05
IUPAC Name[4-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-thiazol-2-yl]methanamine
SMILESNCc1nc(COc2cccc(C(F)(F)F)c2)cs1
InChIInChI=1S/C12H11F3N2OS/c13-12(14,15)8-2-1-3-10(4-8)18-6-9-7-19-11(5-16)17-9/h1-4,7H,5-6,16H2
InChIKeyMWSHYKNMGZCNJN-UHFFFAOYSA-N
XLogP3.20
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.29
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-thiazol-2-yl]methanamine?
The IUPAC name of [4-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-thiazol-2-yl]methanamine (CID 62456685) is [4-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-thiazol-2-yl]methanamine.
What is the SMILES notation for [4-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-thiazol-2-yl]methanamine?
The canonical SMILES for [4-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-thiazol-2-yl]methanamine is NCc1nc(COc2cccc(C(F)(F)F)c2)cs1.
What is the InChIKey of [4-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-thiazol-2-yl]methanamine?
The InChIKey is MWSHYKNMGZCNJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2OS/c13-12(14,15)8-2-1-3-10(4-8)18-6-9-7-19-11(5-16)17-9/h1-4,7H,5-6,16H2.
What are the key properties of [4-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-thiazol-2-yl]methanamine?
[4-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-thiazol-2-yl]methanamine has a molecular weight of 288.29 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-thiazol-2-yl]methanamine is sourced from PubChem (CID 62456685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).