2-[4-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]phenyl]-N,N-dimethylethanamine

C19H19FN2S — CID 54558806

IUPAC2-[4-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]phenyl]-N,N-dimethylethanamine
SMILESCN(C)CCc1ccc(-c2csc(-c3ccc(F)cc3)n2)cc1
InChIInChI=1S/C19H19FN2S/c1-22(2)12-11-14-3-5-15(6-4-14)18-13-23-19(21-18)16-7-9-17(20)10-8-16/h3-10,13H,11-12H2,1-2H3
InChIKeyZPBMJEGQVYNNGA-UHFFFAOYSA-N
MW326.44 g/mol
LogP4.72
Rot. Bonds5

About 2-[4-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]phenyl]-N,N-dimethylethanamine

2-[4-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]phenyl]-N,N-dimethylethanamine (PubChem CID 54558806) has the molecular formula C19H19FN2S and a molecular weight of 326.44 g/mol. Its IUPAC name is 2-[4-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]phenyl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[4-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]phenyl]-N,N-dimethylethanamine
PubChem CID54558806
Molecular FormulaC19H19FN2S
Molecular Weight326.44 g/mol
Exact Mass326.13
IUPAC Name2-[4-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]phenyl]-N,N-dimethylethanamine
SMILESCN(C)CCc1ccc(-c2csc(-c3ccc(F)cc3)n2)cc1
InChIInChI=1S/C19H19FN2S/c1-22(2)12-11-14-3-5-15(6-4-14)18-13-23-19(21-18)16-7-9-17(20)10-8-16/h3-10,13H,11-12H2,1-2H3
InChIKeyZPBMJEGQVYNNGA-UHFFFAOYSA-N
XLogP4.72
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[4-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]phenyl]-N,N-dimethylethanamine 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-[4-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]phenyl]-N,N-dimethylethanamine?
The IUPAC name of 2-[4-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]phenyl]-N,N-dimethylethanamine (CID 54558806) is 2-[4-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]phenyl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[4-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]phenyl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[4-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]phenyl]-N,N-dimethylethanamine is CN(C)CCc1ccc(-c2csc(-c3ccc(F)cc3)n2)cc1.
What is the InChIKey of 2-[4-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]phenyl]-N,N-dimethylethanamine?
The InChIKey is ZPBMJEGQVYNNGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2S/c1-22(2)12-11-14-3-5-15(6-4-14)18-13-23-19(21-18)16-7-9-17(20)10-8-16/h3-10,13H,11-12H2,1-2H3.
What are the key properties of 2-[4-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]phenyl]-N,N-dimethylethanamine?
2-[4-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]phenyl]-N,N-dimethylethanamine has a molecular weight of 326.44 g/mol, XLogP of 4.72, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]phenyl]-N,N-dimethylethanamine is sourced from PubChem (CID 54558806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).