N-(1,3-thiazol-4-ylmethyl)-1-[4-(trifluoromethyl)phenyl]ethanamine

C13H13F3N2S — CID 47067966

IUPACN-(1,3-thiazol-4-ylmethyl)-1-[4-(trifluoromethyl)phenyl]ethanamine
SMILESCC(NCc1cscn1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H13F3N2S/c1-9(17-6-12-7-19-8-18-12)10-2-4-11(5-3-10)13(14,15)16/h2-5,7-9,17H,6H2,1H3
InChIKeyJDSRNBFIJDLYOS-UHFFFAOYSA-N
MW286.32 g/mol
LogP4.01
Rot. Bonds4

About N-(1,3-thiazol-4-ylmethyl)-1-[4-(trifluoromethyl)phenyl]ethanamine

N-(1,3-thiazol-4-ylmethyl)-1-[4-(trifluoromethyl)phenyl]ethanamine (PubChem CID 47067966) has the molecular formula C13H13F3N2S and a molecular weight of 286.32 g/mol. Its IUPAC name is N-(1,3-thiazol-4-ylmethyl)-1-[4-(trifluoromethyl)phenyl]ethanamine.

Molecular Properties

Compound NameN-(1,3-thiazol-4-ylmethyl)-1-[4-(trifluoromethyl)phenyl]ethanamine
PubChem CID47067966
Molecular FormulaC13H13F3N2S
Molecular Weight286.32 g/mol
Exact Mass286.08
IUPAC NameN-(1,3-thiazol-4-ylmethyl)-1-[4-(trifluoromethyl)phenyl]ethanamine
SMILESCC(NCc1cscn1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H13F3N2S/c1-9(17-6-12-7-19-8-18-12)10-2-4-11(5-3-10)13(14,15)16/h2-5,7-9,17H,6H2,1H3
InChIKeyJDSRNBFIJDLYOS-UHFFFAOYSA-N
XLogP4.01
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.32
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-thiazol-4-ylmethyl)-1-[4-(trifluoromethyl)phenyl]ethanamine?
The IUPAC name of N-(1,3-thiazol-4-ylmethyl)-1-[4-(trifluoromethyl)phenyl]ethanamine (CID 47067966) is N-(1,3-thiazol-4-ylmethyl)-1-[4-(trifluoromethyl)phenyl]ethanamine.
What is the SMILES notation for N-(1,3-thiazol-4-ylmethyl)-1-[4-(trifluoromethyl)phenyl]ethanamine?
The canonical SMILES for N-(1,3-thiazol-4-ylmethyl)-1-[4-(trifluoromethyl)phenyl]ethanamine is CC(NCc1cscn1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-(1,3-thiazol-4-ylmethyl)-1-[4-(trifluoromethyl)phenyl]ethanamine?
The InChIKey is JDSRNBFIJDLYOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N2S/c1-9(17-6-12-7-19-8-18-12)10-2-4-11(5-3-10)13(14,15)16/h2-5,7-9,17H,6H2,1H3.
What are the key properties of N-(1,3-thiazol-4-ylmethyl)-1-[4-(trifluoromethyl)phenyl]ethanamine?
N-(1,3-thiazol-4-ylmethyl)-1-[4-(trifluoromethyl)phenyl]ethanamine has a molecular weight of 286.32 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-thiazol-4-ylmethyl)-1-[4-(trifluoromethyl)phenyl]ethanamine is sourced from PubChem (CID 47067966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).