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

C18H16ClFN2S — CID 53271478

IUPACN-[[5-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl]-2-(2-fluorophenyl)ethanamine
SMILESFc1ccccc1CCNCc1ncc(-c2ccc(Cl)cc2)s1
InChIInChI=1S/C18H16ClFN2S/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
InChIKeyJAPJXKJKGWKUHJ-UHFFFAOYSA-N
MW346.86 g/mol
LogP4.93
Rot. Bonds6

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

N-[[5-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl]-2-(2-fluorophenyl)ethanamine (PubChem CID 53271478) has the molecular formula C18H16ClFN2S and a molecular weight of 346.86 g/mol. Its IUPAC name is N-[[5-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl]-2-(2-fluorophenyl)ethanamine.

Molecular Properties

Compound NameN-[[5-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl]-2-(2-fluorophenyl)ethanamine
PubChem CID53271478
Molecular FormulaC18H16ClFN2S
Molecular Weight346.86 g/mol
Exact Mass346.07
IUPAC NameN-[[5-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl]-2-(2-fluorophenyl)ethanamine
SMILESFc1ccccc1CCNCc1ncc(-c2ccc(Cl)cc2)s1
InChIInChI=1S/C18H16ClFN2S/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
InChIKeyJAPJXKJKGWKUHJ-UHFFFAOYSA-N
XLogP4.93
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.86
LogP ≤ 54.93
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

2-(2-fluorophenyl)-N-[[5-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 53272225
N-[[5-(3-chlorophenyl)-1,3-thiazol-2-yl]methyl]-2-(2-fluorophenyl)ethanamine
CID 53271498
N-[[5-(2-chlorophenyl)-1,3-thiazol-2-yl]methyl]-2-(2-fluorophenyl)ethanamine
CID 53271520
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-bromophenyl)-1,3-thiazol-2-yl]methyl]-2-(2-fluorophenyl)ethanamine
CID 53272929
2-(4-chlorophenyl)-N-[[5-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 53272306
N-[[5-(3-chlorophenyl)-1,3-thiazol-2-yl]methyl]-1-(2-fluorophenyl)methanamine
CID 53271511
1-(2-fluorophenyl)-N-[(5-phenyl-1,3-thiazol-2-yl)methyl]methanamine
CID 53271560
2-(3-chlorophenyl)-N-[[5-(2-fluorophenyl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 53272301
N-[[5-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl]-1-phenylmethanamine
CID 53271626
2-(4-chlorophenyl)-N-[[5-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 53272786

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl]-2-(2-fluorophenyl)ethanamine?
The IUPAC name of N-[[5-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl]-2-(2-fluorophenyl)ethanamine (CID 53271478) is N-[[5-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl]-2-(2-fluorophenyl)ethanamine.
What is the SMILES notation for N-[[5-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl]-2-(2-fluorophenyl)ethanamine?
The canonical SMILES for N-[[5-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl]-2-(2-fluorophenyl)ethanamine is Fc1ccccc1CCNCc1ncc(-c2ccc(Cl)cc2)s1.
What is the InChIKey of N-[[5-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl]-2-(2-fluorophenyl)ethanamine?
The InChIKey is JAPJXKJKGWKUHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClFN2S/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 N-[[5-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl]-2-(2-fluorophenyl)ethanamine?
N-[[5-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl]-2-(2-fluorophenyl)ethanamine has a molecular weight of 346.86 g/mol, XLogP of 4.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl]-2-(2-fluorophenyl)ethanamine is sourced from PubChem (CID 53271478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).