2-[2-(4-bromo-2-chlorophenyl)-1,3-thiazol-4-yl]-N-ethylethanamine

C13H14BrClN2S — CID 114275704

IUPAC2-[2-(4-bromo-2-chlorophenyl)-1,3-thiazol-4-yl]-N-ethylethanamine
SMILESCCNCCc1csc(-c2ccc(Br)cc2Cl)n1
InChIInChI=1S/C13H14BrClN2S/c1-2-16-6-5-10-8-18-13(17-10)11-4-3-9(14)7-12(11)15/h3-4,7-8,16H,2,5-6H2,1H3
InChIKeyFWKZXHDKNAMREJ-UHFFFAOYSA-N
MW345.69 g/mol
LogP4.38
Rot. Bonds5

About 2-[2-(4-bromo-2-chlorophenyl)-1,3-thiazol-4-yl]-N-ethylethanamine

2-[2-(4-bromo-2-chlorophenyl)-1,3-thiazol-4-yl]-N-ethylethanamine (PubChem CID 114275704) has the molecular formula C13H14BrClN2S and a molecular weight of 345.69 g/mol. Its IUPAC name is 2-[2-(4-bromo-2-chlorophenyl)-1,3-thiazol-4-yl]-N-ethylethanamine.

Molecular Properties

Compound Name2-[2-(4-bromo-2-chlorophenyl)-1,3-thiazol-4-yl]-N-ethylethanamine
PubChem CID114275704
Molecular FormulaC13H14BrClN2S
Molecular Weight345.69 g/mol
Exact Mass343.97
IUPAC Name2-[2-(4-bromo-2-chlorophenyl)-1,3-thiazol-4-yl]-N-ethylethanamine
SMILESCCNCCc1csc(-c2ccc(Br)cc2Cl)n1
InChIInChI=1S/C13H14BrClN2S/c1-2-16-6-5-10-8-18-13(17-10)11-4-3-9(14)7-12(11)15/h3-4,7-8,16H,2,5-6H2,1H3
InChIKeyFWKZXHDKNAMREJ-UHFFFAOYSA-N
XLogP4.38
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.69
LogP ≤ 54.38
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-(5-bromo-2-methylphenyl)-1,3-thiazol-4-yl]-N-methylethanamine
CID 116888139
4-(4-bromo-2-chlorophenyl)-N-ethyl-1,3-thiazol-2-amine
CID 82774650
2-[5-(5-bromo-2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-ethylethanamine
CID 55043927
2-[2-(5-bromo-2-methoxyphenyl)-1,3-thiazol-4-yl]-N-methylethanamine
CID 116888128
N-[[5-(4-bromo-2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine
CID 62344158
N-[2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]ethyl]propane-1-sulfonamide
CID 110284946
2-[2-(2-chloro-4-fluorophenyl)-1,3-thiazol-4-yl]ethanamine
CID 62944104
2-(5-bromo-2-fluorophenyl)-4-(2-chloroethyl)-1,3-thiazole
CID 116889010
4-bromo-2-(2-chloro-4-methylphenyl)-1,3-thiazole
CID 142618257
N-[[2-(5-bromo-2-methoxyphenyl)-1,3-thiazol-4-yl]methyl]propan-1-amine
CID 60671972
1-[2-(4-bromo-2-fluorophenyl)-1,3-thiazol-4-yl]-N-methylmethanamine
CID 114906976
3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-methylpropan-1-amine
CID 115089531

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-bromo-2-chlorophenyl)-1,3-thiazol-4-yl]-N-ethylethanamine?
The IUPAC name of 2-[2-(4-bromo-2-chlorophenyl)-1,3-thiazol-4-yl]-N-ethylethanamine (CID 114275704) is 2-[2-(4-bromo-2-chlorophenyl)-1,3-thiazol-4-yl]-N-ethylethanamine.
What is the SMILES notation for 2-[2-(4-bromo-2-chlorophenyl)-1,3-thiazol-4-yl]-N-ethylethanamine?
The canonical SMILES for 2-[2-(4-bromo-2-chlorophenyl)-1,3-thiazol-4-yl]-N-ethylethanamine is CCNCCc1csc(-c2ccc(Br)cc2Cl)n1.
What is the InChIKey of 2-[2-(4-bromo-2-chlorophenyl)-1,3-thiazol-4-yl]-N-ethylethanamine?
The InChIKey is FWKZXHDKNAMREJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrClN2S/c1-2-16-6-5-10-8-18-13(17-10)11-4-3-9(14)7-12(11)15/h3-4,7-8,16H,2,5-6H2,1H3.
What are the key properties of 2-[2-(4-bromo-2-chlorophenyl)-1,3-thiazol-4-yl]-N-ethylethanamine?
2-[2-(4-bromo-2-chlorophenyl)-1,3-thiazol-4-yl]-N-ethylethanamine has a molecular weight of 345.69 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-bromo-2-chlorophenyl)-1,3-thiazol-4-yl]-N-ethylethanamine is sourced from PubChem (CID 114275704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).