1-(3-bromo-4-chlorophenyl)-N-methyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine

C13H14BrClN2S — CID 113337124

IUPAC1-(3-bromo-4-chlorophenyl)-N-methyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
SMILESCNC(Cc1nc(C)cs1)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C13H14BrClN2S/c1-8-7-18-13(17-8)6-12(16-2)9-3-4-11(15)10(14)5-9/h3-5,7,12,16H,6H2,1-2H3
InChIKeyMHELMXZETYHAGL-UHFFFAOYSA-N
MW345.69 g/mol
LogP4.37
Rot. Bonds4

About 1-(3-bromo-4-chlorophenyl)-N-methyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine

1-(3-bromo-4-chlorophenyl)-N-methyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine (PubChem CID 113337124) has the molecular formula C13H14BrClN2S and a molecular weight of 345.69 g/mol. Its IUPAC name is 1-(3-bromo-4-chlorophenyl)-N-methyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine.

Molecular Properties

Compound Name1-(3-bromo-4-chlorophenyl)-N-methyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
PubChem CID113337124
Molecular FormulaC13H14BrClN2S
Molecular Weight345.69 g/mol
Exact Mass343.97
IUPAC Name1-(3-bromo-4-chlorophenyl)-N-methyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
SMILESCNC(Cc1nc(C)cs1)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C13H14BrClN2S/c1-8-7-18-13(17-8)6-12(16-2)9-3-4-11(15)10(14)5-9/h3-5,7,12,16H,6H2,1-2H3
InChIKeyMHELMXZETYHAGL-UHFFFAOYSA-N
XLogP4.37
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.69
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chloro-3-fluorophenyl)-N-methyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 107994603
N-methyl-2-(4-methyl-1,3-thiazol-2-yl)-1-(4-propan-2-ylphenyl)ethanamine
CID 62796362
1-(4-chloro-3-methylphenyl)-N-ethyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 105019377
N-methyl-2-(4-methyl-1,3-thiazol-2-yl)-1-(5-methylthiophen-3-yl)ethanamine
CID 65104686
1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 107288871
1-(4-bromothiophen-3-yl)-N-methyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 79594998
N-methyl-2-(4-methyl-1,3-thiazol-2-yl)-1-(4-propan-2-yloxyphenyl)ethanamine
CID 62796188
2-(3-bromo-4-chlorophenyl)-2-(methylamino)ethanol
CID 115563179
N-methyl-2-(4-methyl-1,3-thiazol-2-yl)-1-(3-propoxyphenyl)ethanamine
CID 105019303
1-(2-bromofuran-3-yl)-N-methyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 106858291
N-methyl-2-(4-methyl-1,3-thiazol-2-yl)-1-thiophen-2-ylethanamine
CID 62795850
[1-(3-chlorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]hydrazine
CID 105194644

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-chlorophenyl)-N-methyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine?
The IUPAC name of 1-(3-bromo-4-chlorophenyl)-N-methyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine (CID 113337124) is 1-(3-bromo-4-chlorophenyl)-N-methyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine.
What is the SMILES notation for 1-(3-bromo-4-chlorophenyl)-N-methyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine?
The canonical SMILES for 1-(3-bromo-4-chlorophenyl)-N-methyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine is CNC(Cc1nc(C)cs1)c1ccc(Cl)c(Br)c1.
What is the InChIKey of 1-(3-bromo-4-chlorophenyl)-N-methyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine?
The InChIKey is MHELMXZETYHAGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrClN2S/c1-8-7-18-13(17-8)6-12(16-2)9-3-4-11(15)10(14)5-9/h3-5,7,12,16H,6H2,1-2H3.
What are the key properties of 1-(3-bromo-4-chlorophenyl)-N-methyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine?
1-(3-bromo-4-chlorophenyl)-N-methyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine has a molecular weight of 345.69 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-chlorophenyl)-N-methyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine is sourced from PubChem (CID 113337124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).