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

C12H11F3N2S — CID 61337609

IUPAC1-[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]ethanamine
SMILESCC(N)c1nc(-c2ccc(C(F)(F)F)cc2)cs1
InChIInChI=1S/C12H11F3N2S/c1-7(16)11-17-10(6-18-11)8-2-4-9(5-3-8)12(13,14)15/h2-7H,16H2,1H3
InChIKeyQCKWGPHGEZFRPI-UHFFFAOYSA-N
MW272.30 g/mol
LogP3.85
Rot. Bonds2

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

1-[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]ethanamine (PubChem CID 61337609) has the molecular formula C12H11F3N2S and a molecular weight of 272.30 g/mol. Its IUPAC name is 1-[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]ethanamine.

Molecular Properties

Compound Name1-[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]ethanamine
PubChem CID61337609
Molecular FormulaC12H11F3N2S
Molecular Weight272.30 g/mol
Exact Mass272.06
IUPAC Name1-[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]ethanamine
SMILESCC(N)c1nc(-c2ccc(C(F)(F)F)cc2)cs1
InChIInChI=1S/C12H11F3N2S/c1-7(16)11-17-10(6-18-11)8-2-4-9(5-3-8)12(13,14)15/h2-7H,16H2,1H3
InChIKeyQCKWGPHGEZFRPI-UHFFFAOYSA-N
XLogP3.85
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]ethanamine?
The IUPAC name of 1-[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]ethanamine (CID 61337609) is 1-[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]ethanamine.
What is the SMILES notation for 1-[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]ethanamine?
The canonical SMILES for 1-[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]ethanamine is CC(N)c1nc(-c2ccc(C(F)(F)F)cc2)cs1.
What is the InChIKey of 1-[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]ethanamine?
The InChIKey is QCKWGPHGEZFRPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2S/c1-7(16)11-17-10(6-18-11)8-2-4-9(5-3-8)12(13,14)15/h2-7H,16H2,1H3.
What are the key properties of 1-[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]ethanamine?
1-[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]ethanamine has a molecular weight of 272.30 g/mol, XLogP of 3.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]ethanamine is sourced from PubChem (CID 61337609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).