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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Related Compounds

2-(4-methoxyphenyl)-4-(trifluoromethyl)-1,3-thiazole
CID 116891702
2-(3-methoxyphenyl)-4-(trifluoromethyl)-1,3-thiazole
CID 68669610
2-[4-[1-(4-phenylmethoxyphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenoxy]ethanamine
CID 21090708
2-oxo-2-[4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]phenyl]acetaldehyde
CID 146422842
2-[4-(2-aminoethoxy)phenoxy]ethanamine;dihydrochloride
CID 46786149
2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethanamine;hydrochloride
CID 156593509
2-[4-[2-(4-fluorophenoxy)ethoxy]phenyl]-1,3-thiazole-4-carboxylic acid
CID 22679862
2-[[2-(4-chlorophenyl)-1,3-benzothiazol-6-yl]oxy]ethanamine
CID 82190051
3-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]propan-1-amine
CID 69235596
2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridin-3-amine
CID 69151554
4-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]butanehydrazide
CID 63570309
3-[4-(1,3-benzothiazol-2-yl)phenoxy]propan-1-amine
CID 62597588

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).