2-(3-fluorophenyl)-N-[[5-(3-methylphenyl)-1,3-thiazol-2-yl]methyl]ethanamine

C19H19FN2S — CID 53272511

IUPAC2-(3-fluorophenyl)-N-[[5-(3-methylphenyl)-1,3-thiazol-2-yl]methyl]ethanamine
SMILESCc1cccc(-c2cnc(CNCCc3cccc(F)c3)s2)c1
InChIInChI=1S/C19H19FN2S/c1-14-4-2-6-16(10-14)18-12-22-19(23-18)13-21-9-8-15-5-3-7-17(20)11-15/h2-7,10-12,21H,8-9,13H2,1H3
InChIKeyZLALEXXCEOOSGA-UHFFFAOYSA-N
MW326.44 g/mol
LogP4.59
Rot. Bonds6

About 2-(3-fluorophenyl)-N-[[5-(3-methylphenyl)-1,3-thiazol-2-yl]methyl]ethanamine

2-(3-fluorophenyl)-N-[[5-(3-methylphenyl)-1,3-thiazol-2-yl]methyl]ethanamine (PubChem CID 53272511) has the molecular formula C19H19FN2S and a molecular weight of 326.44 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-N-[[5-(3-methylphenyl)-1,3-thiazol-2-yl]methyl]ethanamine.

Molecular Properties

Compound Name2-(3-fluorophenyl)-N-[[5-(3-methylphenyl)-1,3-thiazol-2-yl]methyl]ethanamine
PubChem CID53272511
Molecular FormulaC19H19FN2S
Molecular Weight326.44 g/mol
Exact Mass326.13
IUPAC Name2-(3-fluorophenyl)-N-[[5-(3-methylphenyl)-1,3-thiazol-2-yl]methyl]ethanamine
SMILESCc1cccc(-c2cnc(CNCCc3cccc(F)c3)s2)c1
InChIInChI=1S/C19H19FN2S/c1-14-4-2-6-16(10-14)18-12-22-19(23-18)13-21-9-8-15-5-3-7-17(20)11-15/h2-7,10-12,21H,8-9,13H2,1H3
InChIKeyZLALEXXCEOOSGA-UHFFFAOYSA-N
XLogP4.59
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(3-fluorophenyl)-N-[[5-(3-methylphenyl)-1,3-thiazol-2-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-(3-fluorophenyl)-N-[[5-(3-methylphenyl)-1,3-thiazol-2-yl]methyl]ethanamine?
The IUPAC name of 2-(3-fluorophenyl)-N-[[5-(3-methylphenyl)-1,3-thiazol-2-yl]methyl]ethanamine (CID 53272511) is 2-(3-fluorophenyl)-N-[[5-(3-methylphenyl)-1,3-thiazol-2-yl]methyl]ethanamine.
What is the SMILES notation for 2-(3-fluorophenyl)-N-[[5-(3-methylphenyl)-1,3-thiazol-2-yl]methyl]ethanamine?
The canonical SMILES for 2-(3-fluorophenyl)-N-[[5-(3-methylphenyl)-1,3-thiazol-2-yl]methyl]ethanamine is Cc1cccc(-c2cnc(CNCCc3cccc(F)c3)s2)c1.
What is the InChIKey of 2-(3-fluorophenyl)-N-[[5-(3-methylphenyl)-1,3-thiazol-2-yl]methyl]ethanamine?
The InChIKey is ZLALEXXCEOOSGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2S/c1-14-4-2-6-16(10-14)18-12-22-19(23-18)13-21-9-8-15-5-3-7-17(20)11-15/h2-7,10-12,21H,8-9,13H2,1H3.
What are the key properties of 2-(3-fluorophenyl)-N-[[5-(3-methylphenyl)-1,3-thiazol-2-yl]methyl]ethanamine?
2-(3-fluorophenyl)-N-[[5-(3-methylphenyl)-1,3-thiazol-2-yl]methyl]ethanamine has a molecular weight of 326.44 g/mol, XLogP of 4.59, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-N-[[5-(3-methylphenyl)-1,3-thiazol-2-yl]methyl]ethanamine is sourced from PubChem (CID 53272511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).