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

C12H11F3N2OS — CID 18523680

IUPAC2-[4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]phenoxy]ethanamine
SMILESNCCOc1ccc(-c2nc(C(F)(F)F)cs2)cc1
InChIInChI=1S/C12H11F3N2OS/c13-12(14,15)10-7-19-11(17-10)8-1-3-9(4-2-8)18-6-5-16/h1-4,7H,5-6,16H2
InChIKeyAGBUNMLCUCLRPQ-UHFFFAOYSA-N
MW288.29 g/mol
LogP3.17
Rot. Bonds4

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

2-[4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]phenoxy]ethanamine (PubChem CID 18523680) has the molecular formula C12H11F3N2OS and a molecular weight of 288.29 g/mol. Its IUPAC name is 2-[4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]phenoxy]ethanamine.

Molecular Properties

Compound Name2-[4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]phenoxy]ethanamine
PubChem CID18523680
Molecular FormulaC12H11F3N2OS
Molecular Weight288.29 g/mol
Exact Mass288.05
IUPAC Name2-[4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]phenoxy]ethanamine
SMILESNCCOc1ccc(-c2nc(C(F)(F)F)cs2)cc1
InChIInChI=1S/C12H11F3N2OS/c13-12(14,15)10-7-19-11(17-10)8-1-3-9(4-2-8)18-6-5-16/h1-4,7H,5-6,16H2
InChIKeyAGBUNMLCUCLRPQ-UHFFFAOYSA-N
XLogP3.17
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 ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]phenoxy]ethanamine?
The IUPAC name of 2-[4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]phenoxy]ethanamine (CID 18523680) is 2-[4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]phenoxy]ethanamine.
What is the SMILES notation for 2-[4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]phenoxy]ethanamine?
The canonical SMILES for 2-[4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]phenoxy]ethanamine is NCCOc1ccc(-c2nc(C(F)(F)F)cs2)cc1.
What is the InChIKey of 2-[4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]phenoxy]ethanamine?
The InChIKey is AGBUNMLCUCLRPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2OS/c13-12(14,15)10-7-19-11(17-10)8-1-3-9(4-2-8)18-6-5-16/h1-4,7H,5-6,16H2.
What are the key properties of 2-[4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]phenoxy]ethanamine?
2-[4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]phenoxy]ethanamine has a molecular weight of 288.29 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]phenoxy]ethanamine is sourced from PubChem (CID 18523680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).