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

C22H19FN2S — CID 53272678

IUPAC2-(4-fluorophenyl)-N-[(5-naphthalen-1-yl-1,3-thiazol-2-yl)methyl]ethanamine
SMILESFc1ccc(CCNCc2ncc(-c3cccc4ccccc34)s2)cc1
InChIInChI=1S/C22H19FN2S/c23-18-10-8-16(9-11-18)12-13-24-15-22-25-14-21(26-22)20-7-3-5-17-4-1-2-6-19(17)20/h1-11,14,24H,12-13,15H2
InChIKeyNUHNZRNOMIEBFR-UHFFFAOYSA-N
MW362.47 g/mol
LogP5.43
Rot. Bonds6

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

2-(4-fluorophenyl)-N-[(5-naphthalen-1-yl-1,3-thiazol-2-yl)methyl]ethanamine (PubChem CID 53272678) has the molecular formula C22H19FN2S and a molecular weight of 362.47 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[(5-naphthalen-1-yl-1,3-thiazol-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[(5-naphthalen-1-yl-1,3-thiazol-2-yl)methyl]ethanamine
PubChem CID53272678
Molecular FormulaC22H19FN2S
Molecular Weight362.47 g/mol
Exact Mass362.13
IUPAC Name2-(4-fluorophenyl)-N-[(5-naphthalen-1-yl-1,3-thiazol-2-yl)methyl]ethanamine
SMILESFc1ccc(CCNCc2ncc(-c3cccc4ccccc34)s2)cc1
InChIInChI=1S/C22H19FN2S/c23-18-10-8-16(9-11-18)12-13-24-15-22-25-14-21(26-22)20-7-3-5-17-4-1-2-6-19(17)20/h1-11,14,24H,12-13,15H2
InChIKeyNUHNZRNOMIEBFR-UHFFFAOYSA-N
XLogP5.43
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.47
LogP ≤ 55.43
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-(3,4-dimethoxyphenyl)-N-[(5-naphthalen-1-yl-1,3-thiazol-2-yl)methyl]ethanamine
CID 53272828
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
2-(2-fluorophenyl)-N-[[5-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 53272225
2-(2-chlorophenyl)-N-[[5-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 53272286
N-[[5-(4-ethoxyphenyl)-1,3-thiazol-2-yl]methyl]-2-(4-fluorophenyl)ethanamine
CID 53272208
2-(4-fluorophenyl)-N-[[5-(3-methoxyphenyl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 53272372
2-(3-chlorophenyl)-N-[[5-(2-fluorophenyl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 53272301
2-(3,4-dimethoxyphenyl)-N-[[5-(2,3-dimethoxyphenyl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 53272089
1,1-dimethyl-2-[(5-naphthalen-1-yl-1,3-thiazol-2-yl)methyl]hydrazine
CID 53272757
1-(furan-2-yl)-N-[(5-naphthalen-1-yl-1,3-thiazol-2-yl)methyl]methanamine
CID 53272679
2-(4-methoxyphenyl)-N-[(5-phenyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 53271692

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[(5-naphthalen-1-yl-1,3-thiazol-2-yl)methyl]ethanamine?
The IUPAC name of 2-(4-fluorophenyl)-N-[(5-naphthalen-1-yl-1,3-thiazol-2-yl)methyl]ethanamine (CID 53272678) is 2-(4-fluorophenyl)-N-[(5-naphthalen-1-yl-1,3-thiazol-2-yl)methyl]ethanamine.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[(5-naphthalen-1-yl-1,3-thiazol-2-yl)methyl]ethanamine?
The canonical SMILES for 2-(4-fluorophenyl)-N-[(5-naphthalen-1-yl-1,3-thiazol-2-yl)methyl]ethanamine is Fc1ccc(CCNCc2ncc(-c3cccc4ccccc34)s2)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-N-[(5-naphthalen-1-yl-1,3-thiazol-2-yl)methyl]ethanamine?
The InChIKey is NUHNZRNOMIEBFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN2S/c23-18-10-8-16(9-11-18)12-13-24-15-22-25-14-21(26-22)20-7-3-5-17-4-1-2-6-19(17)20/h1-11,14,24H,12-13,15H2.
What are the key properties of 2-(4-fluorophenyl)-N-[(5-naphthalen-1-yl-1,3-thiazol-2-yl)methyl]ethanamine?
2-(4-fluorophenyl)-N-[(5-naphthalen-1-yl-1,3-thiazol-2-yl)methyl]ethanamine has a molecular weight of 362.47 g/mol, XLogP of 5.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[(5-naphthalen-1-yl-1,3-thiazol-2-yl)methyl]ethanamine is sourced from PubChem (CID 53272678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).