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

C18H16ClFN2S — CID 53272286

IUPAC2-(2-chlorophenyl)-N-[[5-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]ethanamine
SMILESFc1ccc(-c2cnc(CNCCc3ccccc3Cl)s2)cc1
InChIInChI=1S/C18H16ClFN2S/c19-16-4-2-1-3-13(16)9-10-21-12-18-22-11-17(23-18)14-5-7-15(20)8-6-14/h1-8,11,21H,9-10,12H2
InChIKeyZJHROPQXHGBWNA-UHFFFAOYSA-N
MW346.86 g/mol
LogP4.93
Rot. Bonds6

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

2-(2-chlorophenyl)-N-[[5-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]ethanamine (PubChem CID 53272286) has the molecular formula C18H16ClFN2S and a molecular weight of 346.86 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-[[5-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]ethanamine.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-[[5-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]ethanamine
PubChem CID53272286
Molecular FormulaC18H16ClFN2S
Molecular Weight346.86 g/mol
Exact Mass346.07
IUPAC Name2-(2-chlorophenyl)-N-[[5-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]ethanamine
SMILESFc1ccc(-c2cnc(CNCCc3ccccc3Cl)s2)cc1
InChIInChI=1S/C18H16ClFN2S/c19-16-4-2-1-3-13(16)9-10-21-12-18-22-11-17(23-18)14-5-7-15(20)8-6-14/h1-8,11,21H,9-10,12H2
InChIKeyZJHROPQXHGBWNA-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-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl]-2-(2-fluorophenyl)ethanamine
CID 53271478
2-(4-chlorophenyl)-N-[[5-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 53272306
N-[[5-(2-chlorophenyl)-1,3-thiazol-2-yl]methyl]-2-(2-fluorophenyl)ethanamine
CID 53271520
2-(2-chlorophenyl)-N-[[5-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 53273303
N-[[5-(3-chlorophenyl)-1,3-thiazol-2-yl]methyl]-2-(2-fluorophenyl)ethanamine
CID 53271498
2-(2-chlorophenyl)-N-[[5-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 53273090
N-[[5-(2-chlorophenyl)-1,3-thiazol-2-yl]methyl]-2-(2-methoxyphenyl)ethanamine
CID 53271519
2-(2-chlorophenyl)-N-[[5-(2,4,5-trimethoxyphenyl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 53273060
2-(4-fluorophenyl)-N-[[5-(4-phenylmethoxyphenyl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 53273035
N-[[5-(3-bromophenyl)-1,3-thiazol-2-yl]methyl]-2-(2-fluorophenyl)ethanamine
CID 53272929
2-(2-fluorophenyl)-N-[(5-pyridin-2-yl-1,3-thiazol-2-yl)methyl]ethanamine
CID 53273470

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-[[5-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]ethanamine?
The IUPAC name of 2-(2-chlorophenyl)-N-[[5-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]ethanamine (CID 53272286) is 2-(2-chlorophenyl)-N-[[5-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]ethanamine.
What is the SMILES notation for 2-(2-chlorophenyl)-N-[[5-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]ethanamine?
The canonical SMILES for 2-(2-chlorophenyl)-N-[[5-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]ethanamine is Fc1ccc(-c2cnc(CNCCc3ccccc3Cl)s2)cc1.
What is the InChIKey of 2-(2-chlorophenyl)-N-[[5-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]ethanamine?
The InChIKey is ZJHROPQXHGBWNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClFN2S/c19-16-4-2-1-3-13(16)9-10-21-12-18-22-11-17(23-18)14-5-7-15(20)8-6-14/h1-8,11,21H,9-10,12H2.
What are the key properties of 2-(2-chlorophenyl)-N-[[5-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]ethanamine?
2-(2-chlorophenyl)-N-[[5-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]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 2-(2-chlorophenyl)-N-[[5-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]ethanamine is sourced from PubChem (CID 53272286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).