1-(oxan-3-yl)-N-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]methanamine

C17H19F3N2OS — CID 119129674

IUPAC1-(oxan-3-yl)-N-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]methanamine
SMILESFC(F)(F)c1ccc(-c2nc(CNCC3CCCOC3)cs2)cc1
InChIInChI=1S/C17H19F3N2OS/c18-17(19,20)14-5-3-13(4-6-14)16-22-15(11-24-16)9-21-8-12-2-1-7-23-10-12/h3-6,11-12,21H,1-2,7-10H2
InChIKeyLLLPFIXZSUDVEY-UHFFFAOYSA-N
MW356.41 g/mol
LogP4.35
Rot. Bonds5

About 1-(oxan-3-yl)-N-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]methanamine

1-(oxan-3-yl)-N-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]methanamine (PubChem CID 119129674) has the molecular formula C17H19F3N2OS and a molecular weight of 356.41 g/mol. Its IUPAC name is 1-(oxan-3-yl)-N-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]methanamine.

Molecular Properties

Compound Name1-(oxan-3-yl)-N-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]methanamine
PubChem CID119129674
Molecular FormulaC17H19F3N2OS
Molecular Weight356.41 g/mol
Exact Mass356.12
IUPAC Name1-(oxan-3-yl)-N-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]methanamine
SMILESFC(F)(F)c1ccc(-c2nc(CNCC3CCCOC3)cs2)cc1
InChIInChI=1S/C17H19F3N2OS/c18-17(19,20)14-5-3-13(4-6-14)16-22-15(11-24-16)9-21-8-12-2-1-7-23-10-12/h3-6,11-12,21H,1-2,7-10H2
InChIKeyLLLPFIXZSUDVEY-UHFFFAOYSA-N
XLogP4.35
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.41
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(oxan-3-yl)-N-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]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 1-(oxan-3-yl)-N-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]methanamine?
The IUPAC name of 1-(oxan-3-yl)-N-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]methanamine (CID 119129674) is 1-(oxan-3-yl)-N-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]methanamine.
What is the SMILES notation for 1-(oxan-3-yl)-N-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]methanamine?
The canonical SMILES for 1-(oxan-3-yl)-N-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]methanamine is FC(F)(F)c1ccc(-c2nc(CNCC3CCCOC3)cs2)cc1.
What is the InChIKey of 1-(oxan-3-yl)-N-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]methanamine?
The InChIKey is LLLPFIXZSUDVEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N2OS/c18-17(19,20)14-5-3-13(4-6-14)16-22-15(11-24-16)9-21-8-12-2-1-7-23-10-12/h3-6,11-12,21H,1-2,7-10H2.
What are the key properties of 1-(oxan-3-yl)-N-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]methanamine?
1-(oxan-3-yl)-N-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]methanamine has a molecular weight of 356.41 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-3-yl)-N-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]methanamine is sourced from PubChem (CID 119129674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).