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

C20H21FN2OS — CID 53272208

IUPACN-[[5-(4-ethoxyphenyl)-1,3-thiazol-2-yl]methyl]-2-(4-fluorophenyl)ethanamine
SMILESCCOc1ccc(-c2cnc(CNCCc3ccc(F)cc3)s2)cc1
InChIInChI=1S/C20H21FN2OS/c1-2-24-18-9-5-16(6-10-18)19-13-23-20(25-19)14-22-12-11-15-3-7-17(21)8-4-15/h3-10,13,22H,2,11-12,14H2,1H3
InChIKeyQEVGNPZWDBMVKS-UHFFFAOYSA-N
MW356.47 g/mol
LogP4.68
Rot. Bonds8

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

N-[[5-(4-ethoxyphenyl)-1,3-thiazol-2-yl]methyl]-2-(4-fluorophenyl)ethanamine (PubChem CID 53272208) has the molecular formula C20H21FN2OS and a molecular weight of 356.47 g/mol. Its IUPAC name is N-[[5-(4-ethoxyphenyl)-1,3-thiazol-2-yl]methyl]-2-(4-fluorophenyl)ethanamine.

Molecular Properties

Compound NameN-[[5-(4-ethoxyphenyl)-1,3-thiazol-2-yl]methyl]-2-(4-fluorophenyl)ethanamine
PubChem CID53272208
Molecular FormulaC20H21FN2OS
Molecular Weight356.47 g/mol
Exact Mass356.14
IUPAC NameN-[[5-(4-ethoxyphenyl)-1,3-thiazol-2-yl]methyl]-2-(4-fluorophenyl)ethanamine
SMILESCCOc1ccc(-c2cnc(CNCCc3ccc(F)cc3)s2)cc1
InChIInChI=1S/C20H21FN2OS/c1-2-24-18-9-5-16(6-10-18)19-13-23-20(25-19)14-22-12-11-15-3-7-17(21)8-4-15/h3-10,13,22H,2,11-12,14H2,1H3
InChIKeyQEVGNPZWDBMVKS-UHFFFAOYSA-N
XLogP4.68
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-fluorophenyl)-N-[[5-(4-phenylmethoxyphenyl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 53273035
2-(4-chlorophenyl)-N-[[5-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 53272306
2-(4-fluorophenyl)-N-[[5-(3-methoxyphenyl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 53272372
N-[[5-(4-bromophenyl)-1,3-thiazol-2-yl]methyl]-2-(4-methoxyphenyl)ethanamine
CID 53272874
2-(4-methoxyphenyl)-N-[(5-phenyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 53271692
2-(2-fluorophenyl)-N-[[5-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 53272225
2-(4-fluorophenyl)-N-[(5-naphthalen-1-yl-1,3-thiazol-2-yl)methyl]ethanamine
CID 53272678
2-(4-chlorophenyl)-N-[[5-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 53272786
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]-1-thiophen-2-ylmethanamine
CID 53272191
N-[[5-(4-ethylphenyl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 112755658
4-[2-[[2-(4-chlorophenyl)ethylamino]methyl]-1,3-thiazol-5-yl]-N,N-dimethylaniline
CID 53272498

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-ethoxyphenyl)-1,3-thiazol-2-yl]methyl]-2-(4-fluorophenyl)ethanamine?
The IUPAC name of N-[[5-(4-ethoxyphenyl)-1,3-thiazol-2-yl]methyl]-2-(4-fluorophenyl)ethanamine (CID 53272208) is N-[[5-(4-ethoxyphenyl)-1,3-thiazol-2-yl]methyl]-2-(4-fluorophenyl)ethanamine.
What is the SMILES notation for N-[[5-(4-ethoxyphenyl)-1,3-thiazol-2-yl]methyl]-2-(4-fluorophenyl)ethanamine?
The canonical SMILES for N-[[5-(4-ethoxyphenyl)-1,3-thiazol-2-yl]methyl]-2-(4-fluorophenyl)ethanamine is CCOc1ccc(-c2cnc(CNCCc3ccc(F)cc3)s2)cc1.
What is the InChIKey of N-[[5-(4-ethoxyphenyl)-1,3-thiazol-2-yl]methyl]-2-(4-fluorophenyl)ethanamine?
The InChIKey is QEVGNPZWDBMVKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2OS/c1-2-24-18-9-5-16(6-10-18)19-13-23-20(25-19)14-22-12-11-15-3-7-17(21)8-4-15/h3-10,13,22H,2,11-12,14H2,1H3.
What are the key properties of N-[[5-(4-ethoxyphenyl)-1,3-thiazol-2-yl]methyl]-2-(4-fluorophenyl)ethanamine?
N-[[5-(4-ethoxyphenyl)-1,3-thiazol-2-yl]methyl]-2-(4-fluorophenyl)ethanamine has a molecular weight of 356.47 g/mol, XLogP of 4.68, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-ethoxyphenyl)-1,3-thiazol-2-yl]methyl]-2-(4-fluorophenyl)ethanamine is sourced from PubChem (CID 53272208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).