(1S)-1-[3-(trifluoromethyl)-1,2-thiazol-5-yl]ethanamine

C6H7F3N2S — CID 82399844

IUPAC(1S)-1-[3-(trifluoromethyl)-1,2-thiazol-5-yl]ethanamine
SMILESC[C@H](N)c1cc(C(F)(F)F)ns1
InChIInChI=1S/C6H7F3N2S/c1-3(10)4-2-5(11-12-4)6(7,8)9/h2-3H,10H2,1H3/t3-/m0/s1
InChIKeyGGARHPSTJDXDGU-VKHMYHEASA-N
MW196.20 g/mol
LogP2.18
Rot. Bonds1

About (1S)-1-[3-(trifluoromethyl)-1,2-thiazol-5-yl]ethanamine

(1S)-1-[3-(trifluoromethyl)-1,2-thiazol-5-yl]ethanamine (PubChem CID 82399844) has the molecular formula C6H7F3N2S and a molecular weight of 196.20 g/mol. Its IUPAC name is (1S)-1-[3-(trifluoromethyl)-1,2-thiazol-5-yl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[3-(trifluoromethyl)-1,2-thiazol-5-yl]ethanamine
PubChem CID82399844
Molecular FormulaC6H7F3N2S
Molecular Weight196.20 g/mol
Exact Mass196.03
IUPAC Name(1S)-1-[3-(trifluoromethyl)-1,2-thiazol-5-yl]ethanamine
SMILESC[C@H](N)c1cc(C(F)(F)F)ns1
InChIInChI=1S/C6H7F3N2S/c1-3(10)4-2-5(11-12-4)6(7,8)9/h2-3H,10H2,1H3/t3-/m0/s1
InChIKeyGGARHPSTJDXDGU-VKHMYHEASA-N
XLogP2.18
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.20
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1S)-1-[3-(trifluoromethyl)-1,2-thiazol-5-yl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[3-(trifluoromethyl)-1,2-thiazol-5-yl]ethanamine?
The IUPAC name of (1S)-1-[3-(trifluoromethyl)-1,2-thiazol-5-yl]ethanamine (CID 82399844) is (1S)-1-[3-(trifluoromethyl)-1,2-thiazol-5-yl]ethanamine.
What is the SMILES notation for (1S)-1-[3-(trifluoromethyl)-1,2-thiazol-5-yl]ethanamine?
The canonical SMILES for (1S)-1-[3-(trifluoromethyl)-1,2-thiazol-5-yl]ethanamine is C[C@H](N)c1cc(C(F)(F)F)ns1.
What is the InChIKey of (1S)-1-[3-(trifluoromethyl)-1,2-thiazol-5-yl]ethanamine?
The InChIKey is GGARHPSTJDXDGU-VKHMYHEASA-N. The full InChI is InChI=1S/C6H7F3N2S/c1-3(10)4-2-5(11-12-4)6(7,8)9/h2-3H,10H2,1H3/t3-/m0/s1.
What are the key properties of (1S)-1-[3-(trifluoromethyl)-1,2-thiazol-5-yl]ethanamine?
(1S)-1-[3-(trifluoromethyl)-1,2-thiazol-5-yl]ethanamine has a molecular weight of 196.20 g/mol, XLogP of 2.18, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[3-(trifluoromethyl)-1,2-thiazol-5-yl]ethanamine is sourced from PubChem (CID 82399844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).