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

C25H23FN2OS — CID 53273035

IUPAC2-(4-fluorophenyl)-N-[[5-(4-phenylmethoxyphenyl)-1,3-thiazol-2-yl]methyl]ethanamine
SMILESFc1ccc(CCNCc2ncc(-c3ccc(OCc4ccccc4)cc3)s2)cc1
InChIInChI=1S/C25H23FN2OS/c26-22-10-6-19(7-11-22)14-15-27-17-25-28-16-24(30-25)21-8-12-23(13-9-21)29-18-20-4-2-1-3-5-20/h1-13,16,27H,14-15,17-18H2
InChIKeyMGPNVGFGHFZJPO-UHFFFAOYSA-N
MW418.54 g/mol
LogP5.86
Rot. Bonds9

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

2-(4-fluorophenyl)-N-[[5-(4-phenylmethoxyphenyl)-1,3-thiazol-2-yl]methyl]ethanamine (PubChem CID 53273035) has the molecular formula C25H23FN2OS and a molecular weight of 418.54 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[[5-(4-phenylmethoxyphenyl)-1,3-thiazol-2-yl]methyl]ethanamine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[[5-(4-phenylmethoxyphenyl)-1,3-thiazol-2-yl]methyl]ethanamine
PubChem CID53273035
Molecular FormulaC25H23FN2OS
Molecular Weight418.54 g/mol
Exact Mass418.15
IUPAC Name2-(4-fluorophenyl)-N-[[5-(4-phenylmethoxyphenyl)-1,3-thiazol-2-yl]methyl]ethanamine
SMILESFc1ccc(CCNCc2ncc(-c3ccc(OCc4ccccc4)cc3)s2)cc1
InChIInChI=1S/C25H23FN2OS/c26-22-10-6-19(7-11-22)14-15-27-17-25-28-16-24(30-25)21-8-12-23(13-9-21)29-18-20-4-2-1-3-5-20/h1-13,16,27H,14-15,17-18H2
InChIKeyMGPNVGFGHFZJPO-UHFFFAOYSA-N
XLogP5.86
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.54
LogP ≤ 55.86
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

N-[[5-(4-ethoxyphenyl)-1,3-thiazol-2-yl]methyl]-2-(4-fluorophenyl)ethanamine
CID 53272208
2-(4-chlorophenyl)-N-[[5-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 53272306
2-(4-methoxyphenyl)-N-[(5-phenyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 53271692
2-(4-fluorophenyl)-N-[[5-(3-methoxyphenyl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 53272372
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-(2-chlorophenyl)-N-[[5-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 53272286
[5-(4-phenylmethoxyphenyl)-1,3-thiazol-2-yl]methanol
CID 53273724
N-[[5-(4-bromophenyl)-1,3-thiazol-2-yl]methyl]-2-(4-methoxyphenyl)ethanamine
CID 53272874
2-(4-fluorophenyl)-N-[(3-phenylmethoxyphenyl)methyl]ethanamine;hydrochloride
CID 17292837
N-[[5-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]methyl]-2-phenylethanamine
CID 53271955
N-[[5-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl]-2-(2-fluorophenyl)ethanamine
CID 53271478

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[[5-(4-phenylmethoxyphenyl)-1,3-thiazol-2-yl]methyl]ethanamine?
The IUPAC name of 2-(4-fluorophenyl)-N-[[5-(4-phenylmethoxyphenyl)-1,3-thiazol-2-yl]methyl]ethanamine (CID 53273035) is 2-(4-fluorophenyl)-N-[[5-(4-phenylmethoxyphenyl)-1,3-thiazol-2-yl]methyl]ethanamine.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[[5-(4-phenylmethoxyphenyl)-1,3-thiazol-2-yl]methyl]ethanamine?
The canonical SMILES for 2-(4-fluorophenyl)-N-[[5-(4-phenylmethoxyphenyl)-1,3-thiazol-2-yl]methyl]ethanamine is Fc1ccc(CCNCc2ncc(-c3ccc(OCc4ccccc4)cc3)s2)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-N-[[5-(4-phenylmethoxyphenyl)-1,3-thiazol-2-yl]methyl]ethanamine?
The InChIKey is MGPNVGFGHFZJPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN2OS/c26-22-10-6-19(7-11-22)14-15-27-17-25-28-16-24(30-25)21-8-12-23(13-9-21)29-18-20-4-2-1-3-5-20/h1-13,16,27H,14-15,17-18H2.
What are the key properties of 2-(4-fluorophenyl)-N-[[5-(4-phenylmethoxyphenyl)-1,3-thiazol-2-yl]methyl]ethanamine?
2-(4-fluorophenyl)-N-[[5-(4-phenylmethoxyphenyl)-1,3-thiazol-2-yl]methyl]ethanamine has a molecular weight of 418.54 g/mol, XLogP of 5.86, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[[5-(4-phenylmethoxyphenyl)-1,3-thiazol-2-yl]methyl]ethanamine is sourced from PubChem (CID 53273035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).