2,2,2-trifluoro-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]ethanamine

C10H9F3N2S2 — CID 115574424

IUPAC2,2,2-trifluoro-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]ethanamine
SMILESFC(F)(F)CNCc1csc(-c2ccsc2)n1
InChIInChI=1S/C10H9F3N2S2/c11-10(12,13)6-14-3-8-5-17-9(15-8)7-1-2-16-4-7/h1-2,4-5,14H,3,6H2
InChIKeyCJOFLPCKECYNNM-UHFFFAOYSA-N
MW278.32 g/mol
LogP3.52
Rot. Bonds4

About 2,2,2-trifluoro-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]ethanamine

2,2,2-trifluoro-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]ethanamine (PubChem CID 115574424) has the molecular formula C10H9F3N2S2 and a molecular weight of 278.32 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]ethanamine
PubChem CID115574424
Molecular FormulaC10H9F3N2S2
Molecular Weight278.32 g/mol
Exact Mass278.02
IUPAC Name2,2,2-trifluoro-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]ethanamine
SMILESFC(F)(F)CNCc1csc(-c2ccsc2)n1
InChIInChI=1S/C10H9F3N2S2/c11-10(12,13)6-14-3-8-5-17-9(15-8)7-1-2-16-4-7/h1-2,4-5,14H,3,6H2
InChIKeyCJOFLPCKECYNNM-UHFFFAOYSA-N
XLogP3.52
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2,2,2-trifluoro-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]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 2,2,2-trifluoro-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]ethanamine?
The IUPAC name of 2,2,2-trifluoro-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]ethanamine (CID 115574424) is 2,2,2-trifluoro-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]ethanamine.
What is the SMILES notation for 2,2,2-trifluoro-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]ethanamine?
The canonical SMILES for 2,2,2-trifluoro-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]ethanamine is FC(F)(F)CNCc1csc(-c2ccsc2)n1.
What is the InChIKey of 2,2,2-trifluoro-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]ethanamine?
The InChIKey is CJOFLPCKECYNNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N2S2/c11-10(12,13)6-14-3-8-5-17-9(15-8)7-1-2-16-4-7/h1-2,4-5,14H,3,6H2.
What are the key properties of 2,2,2-trifluoro-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]ethanamine?
2,2,2-trifluoro-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]ethanamine has a molecular weight of 278.32 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 115574424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).