2-(2-fluorophenyl)-N-[[5-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]ethanamine

C18H16F2N2S — CID 53272225

IUPAC2-(2-fluorophenyl)-N-[[5-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]ethanamine
SMILESFc1ccc(-c2cnc(CNCCc3ccccc3F)s2)cc1
InChIInChI=1S/C18H16F2N2S/c19-15-7-5-14(6-8-15)17-11-22-18(23-17)12-21-10-9-13-3-1-2-4-16(13)20/h1-8,11,21H,9-10,12H2
InChIKeyZTKMOEYXMOMEHB-UHFFFAOYSA-N
MW330.40 g/mol
LogP4.42
Rot. Bonds6

About 2-(2-fluorophenyl)-N-[[5-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]ethanamine

2-(2-fluorophenyl)-N-[[5-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]ethanamine (PubChem CID 53272225) has the molecular formula C18H16F2N2S and a molecular weight of 330.40 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-N-[[5-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]ethanamine.

Molecular Properties

Compound Name2-(2-fluorophenyl)-N-[[5-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]ethanamine
PubChem CID53272225
Molecular FormulaC18H16F2N2S
Molecular Weight330.40 g/mol
Exact Mass330.10
IUPAC Name2-(2-fluorophenyl)-N-[[5-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]ethanamine
SMILESFc1ccc(-c2cnc(CNCCc3ccccc3F)s2)cc1
InChIInChI=1S/C18H16F2N2S/c19-15-7-5-14(6-8-15)17-11-22-18(23-17)12-21-10-9-13-3-1-2-4-16(13)20/h1-8,11,21H,9-10,12H2
InChIKeyZTKMOEYXMOMEHB-UHFFFAOYSA-N
XLogP4.42
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.40
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[5-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl]-2-(2-fluorophenyl)ethanamine
CID 53271478
2-(2-chlorophenyl)-N-[[5-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 53272286
2-(2-fluorophenyl)-N-[(5-pyridin-2-yl-1,3-thiazol-2-yl)methyl]ethanamine
CID 53273470
N-[[5-(3-chlorophenyl)-1,3-thiazol-2-yl]methyl]-2-(2-fluorophenyl)ethanamine
CID 53271498
N-[[5-(3-bromophenyl)-1,3-thiazol-2-yl]methyl]-2-(2-fluorophenyl)ethanamine
CID 53272929
N-[[5-(2-chlorophenyl)-1,3-thiazol-2-yl]methyl]-2-(2-fluorophenyl)ethanamine
CID 53271520
1-(2-fluorophenyl)-N-[(5-phenyl-1,3-thiazol-2-yl)methyl]methanamine
CID 53271560
2-(4-chlorophenyl)-N-[[5-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 53272306
2-(4-fluorophenyl)-N-[[5-(4-phenylmethoxyphenyl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 53273035
N-[[5-(4-ethoxyphenyl)-1,3-thiazol-2-yl]methyl]-2-(4-fluorophenyl)ethanamine
CID 53272208
2-(4-fluorophenyl)-N-[(5-naphthalen-1-yl-1,3-thiazol-2-yl)methyl]ethanamine
CID 53272678
N-[[5-(3-chlorophenyl)-1,3-thiazol-2-yl]methyl]-1-(2-fluorophenyl)methanamine
CID 53271511

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-N-[[5-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]ethanamine?
The IUPAC name of 2-(2-fluorophenyl)-N-[[5-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]ethanamine (CID 53272225) is 2-(2-fluorophenyl)-N-[[5-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]ethanamine.
What is the SMILES notation for 2-(2-fluorophenyl)-N-[[5-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]ethanamine?
The canonical SMILES for 2-(2-fluorophenyl)-N-[[5-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]ethanamine is Fc1ccc(-c2cnc(CNCCc3ccccc3F)s2)cc1.
What is the InChIKey of 2-(2-fluorophenyl)-N-[[5-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]ethanamine?
The InChIKey is ZTKMOEYXMOMEHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N2S/c19-15-7-5-14(6-8-15)17-11-22-18(23-17)12-21-10-9-13-3-1-2-4-16(13)20/h1-8,11,21H,9-10,12H2.
What are the key properties of 2-(2-fluorophenyl)-N-[[5-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]ethanamine?
2-(2-fluorophenyl)-N-[[5-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]ethanamine has a molecular weight of 330.40 g/mol, XLogP of 4.42, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-N-[[5-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]ethanamine is sourced from PubChem (CID 53272225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).