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

C21H23ClN2S — CID 53272786

IUPAC2-(4-chlorophenyl)-N-[[5-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]methyl]ethanamine
SMILESCC(C)c1ccc(-c2cnc(CNCCc3ccc(Cl)cc3)s2)cc1
InChIInChI=1S/C21H23ClN2S/c1-15(2)17-5-7-18(8-6-17)20-13-24-21(25-20)14-23-12-11-16-3-9-19(22)10-4-16/h3-10,13,15,23H,11-12,14H2,1-2H3
InChIKeyUDFAYAHABUBVHG-UHFFFAOYSA-N
MW370.95 g/mol
LogP5.92
Rot. Bonds7

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

2-(4-chlorophenyl)-N-[[5-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]methyl]ethanamine (PubChem CID 53272786) has the molecular formula C21H23ClN2S and a molecular weight of 370.95 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[[5-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]methyl]ethanamine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[[5-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]methyl]ethanamine
PubChem CID53272786
Molecular FormulaC21H23ClN2S
Molecular Weight370.95 g/mol
Exact Mass370.13
IUPAC Name2-(4-chlorophenyl)-N-[[5-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]methyl]ethanamine
SMILESCC(C)c1ccc(-c2cnc(CNCCc3ccc(Cl)cc3)s2)cc1
InChIInChI=1S/C21H23ClN2S/c1-15(2)17-5-7-18(8-6-17)20-13-24-21(25-20)14-23-12-11-16-3-9-19(22)10-4-16/h3-10,13,15,23H,11-12,14H2,1-2H3
InChIKeyUDFAYAHABUBVHG-UHFFFAOYSA-N
XLogP5.92
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.95
LogP ≤ 55.92
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-(4-chlorophenyl)-N-[[5-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 53272306
4-[2-[[2-(4-chlorophenyl)ethylamino]methyl]-1,3-thiazol-5-yl]-N,N-dimethylaniline
CID 53272498
2-(4-chlorophenyl)-N-[[5-(1-methylpyrrol-2-yl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 53273510
N-[[5-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl]-2-(2-fluorophenyl)ethanamine
CID 53271478
1-cyclopropyl-N-[[5-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]methyl]methanamine
CID 53272743
N-[[5-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl]-1-phenylmethanamine
CID 53271626
N-[[5-(5-bromofuran-2-yl)-1,3-thiazol-2-yl]methyl]-2-(4-chlorophenyl)ethanamine
CID 53273420
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
N-[[5-(4-ethoxyphenyl)-1,3-thiazol-2-yl]methyl]-2-(4-fluorophenyl)ethanamine
CID 53272208
2-(4-chlorophenyl)-N-[[5-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 53271931
N-[[5-(4-ethylphenyl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 112755658

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[[5-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]methyl]ethanamine?
The IUPAC name of 2-(4-chlorophenyl)-N-[[5-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]methyl]ethanamine (CID 53272786) is 2-(4-chlorophenyl)-N-[[5-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]methyl]ethanamine.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[[5-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]methyl]ethanamine?
The canonical SMILES for 2-(4-chlorophenyl)-N-[[5-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]methyl]ethanamine is CC(C)c1ccc(-c2cnc(CNCCc3ccc(Cl)cc3)s2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[[5-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]methyl]ethanamine?
The InChIKey is UDFAYAHABUBVHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN2S/c1-15(2)17-5-7-18(8-6-17)20-13-24-21(25-20)14-23-12-11-16-3-9-19(22)10-4-16/h3-10,13,15,23H,11-12,14H2,1-2H3.
What are the key properties of 2-(4-chlorophenyl)-N-[[5-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]methyl]ethanamine?
2-(4-chlorophenyl)-N-[[5-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]methyl]ethanamine has a molecular weight of 370.95 g/mol, XLogP of 5.92, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[[5-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]methyl]ethanamine is sourced from PubChem (CID 53272786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).