[(4R)-2-phenyl-4-(trifluoromethyl)-5H-1,3-thiazol-4-yl]methanamine

C11H11F3N2S — CID 97305172

IUPAC[(4R)-2-phenyl-4-(trifluoromethyl)-5H-1,3-thiazol-4-yl]methanamine
SMILESNC[C@@]1(C(F)(F)F)CSC(c2ccccc2)=N1
InChIInChI=1S/C11H11F3N2S/c12-11(13,14)10(6-15)7-17-9(16-10)8-4-2-1-3-5-8/h1-5H,6-7,15H2/t10-/m0/s1
InChIKeyNMOCQLXZOMIOFT-JTQLQIEISA-N
MW260.28 g/mol
LogP2.44
Rot. Bonds2

About [(4R)-2-phenyl-4-(trifluoromethyl)-5H-1,3-thiazol-4-yl]methanamine

[(4R)-2-phenyl-4-(trifluoromethyl)-5H-1,3-thiazol-4-yl]methanamine (PubChem CID 97305172) has the molecular formula C11H11F3N2S and a molecular weight of 260.28 g/mol. Its IUPAC name is [(4R)-2-phenyl-4-(trifluoromethyl)-5H-1,3-thiazol-4-yl]methanamine.

Molecular Properties

Compound Name[(4R)-2-phenyl-4-(trifluoromethyl)-5H-1,3-thiazol-4-yl]methanamine
PubChem CID97305172
Molecular FormulaC11H11F3N2S
Molecular Weight260.28 g/mol
Exact Mass260.06
IUPAC Name[(4R)-2-phenyl-4-(trifluoromethyl)-5H-1,3-thiazol-4-yl]methanamine
SMILESNC[C@@]1(C(F)(F)F)CSC(c2ccccc2)=N1
InChIInChI=1S/C11H11F3N2S/c12-11(13,14)10(6-15)7-17-9(16-10)8-4-2-1-3-5-8/h1-5H,6-7,15H2/t10-/m0/s1
InChIKeyNMOCQLXZOMIOFT-JTQLQIEISA-N
XLogP2.44
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.28
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [(4R)-2-phenyl-4-(trifluoromethyl)-5H-1,3-thiazol-4-yl]methanamine 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 [(4R)-2-phenyl-4-(trifluoromethyl)-5H-1,3-thiazol-4-yl]methanamine?
The IUPAC name of [(4R)-2-phenyl-4-(trifluoromethyl)-5H-1,3-thiazol-4-yl]methanamine (CID 97305172) is [(4R)-2-phenyl-4-(trifluoromethyl)-5H-1,3-thiazol-4-yl]methanamine.
What is the SMILES notation for [(4R)-2-phenyl-4-(trifluoromethyl)-5H-1,3-thiazol-4-yl]methanamine?
The canonical SMILES for [(4R)-2-phenyl-4-(trifluoromethyl)-5H-1,3-thiazol-4-yl]methanamine is NC[C@@]1(C(F)(F)F)CSC(c2ccccc2)=N1.
What is the InChIKey of [(4R)-2-phenyl-4-(trifluoromethyl)-5H-1,3-thiazol-4-yl]methanamine?
The InChIKey is NMOCQLXZOMIOFT-JTQLQIEISA-N. The full InChI is InChI=1S/C11H11F3N2S/c12-11(13,14)10(6-15)7-17-9(16-10)8-4-2-1-3-5-8/h1-5H,6-7,15H2/t10-/m0/s1.
What are the key properties of [(4R)-2-phenyl-4-(trifluoromethyl)-5H-1,3-thiazol-4-yl]methanamine?
[(4R)-2-phenyl-4-(trifluoromethyl)-5H-1,3-thiazol-4-yl]methanamine has a molecular weight of 260.28 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R)-2-phenyl-4-(trifluoromethyl)-5H-1,3-thiazol-4-yl]methanamine is sourced from PubChem (CID 97305172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).