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

C7H9F3N2S — CID 62929819

IUPAC2-[2-(2,2,2-trifluoroethyl)-1,3-thiazol-4-yl]ethanamine
SMILESNCCc1csc(CC(F)(F)F)n1
InChIInChI=1S/C7H9F3N2S/c8-7(9,10)3-6-12-5(1-2-11)4-13-6/h4H,1-3,11H2
InChIKeyZZJNMVCGPNGEKS-UHFFFAOYSA-N
MW210.22 g/mol
LogP1.75
Rot. Bonds3

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

2-[2-(2,2,2-trifluoroethyl)-1,3-thiazol-4-yl]ethanamine (PubChem CID 62929819) has the molecular formula C7H9F3N2S and a molecular weight of 210.22 g/mol. Its IUPAC name is 2-[2-(2,2,2-trifluoroethyl)-1,3-thiazol-4-yl]ethanamine.

Molecular Properties

Compound Name2-[2-(2,2,2-trifluoroethyl)-1,3-thiazol-4-yl]ethanamine
PubChem CID62929819
Molecular FormulaC7H9F3N2S
Molecular Weight210.22 g/mol
Exact Mass210.04
IUPAC Name2-[2-(2,2,2-trifluoroethyl)-1,3-thiazol-4-yl]ethanamine
SMILESNCCc1csc(CC(F)(F)F)n1
InChIInChI=1S/C7H9F3N2S/c8-7(9,10)3-6-12-5(1-2-11)4-13-6/h4H,1-3,11H2
InChIKeyZZJNMVCGPNGEKS-UHFFFAOYSA-N
XLogP1.75
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.22
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,2,2-trifluoroethyl)-1,3-thiazol-4-yl]ethanamine?
The IUPAC name of 2-[2-(2,2,2-trifluoroethyl)-1,3-thiazol-4-yl]ethanamine (CID 62929819) is 2-[2-(2,2,2-trifluoroethyl)-1,3-thiazol-4-yl]ethanamine.
What is the SMILES notation for 2-[2-(2,2,2-trifluoroethyl)-1,3-thiazol-4-yl]ethanamine?
The canonical SMILES for 2-[2-(2,2,2-trifluoroethyl)-1,3-thiazol-4-yl]ethanamine is NCCc1csc(CC(F)(F)F)n1.
What is the InChIKey of 2-[2-(2,2,2-trifluoroethyl)-1,3-thiazol-4-yl]ethanamine?
The InChIKey is ZZJNMVCGPNGEKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N2S/c8-7(9,10)3-6-12-5(1-2-11)4-13-6/h4H,1-3,11H2.
What are the key properties of 2-[2-(2,2,2-trifluoroethyl)-1,3-thiazol-4-yl]ethanamine?
2-[2-(2,2,2-trifluoroethyl)-1,3-thiazol-4-yl]ethanamine has a molecular weight of 210.22 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,2,2-trifluoroethyl)-1,3-thiazol-4-yl]ethanamine is sourced from PubChem (CID 62929819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).