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

C13H14BrClN2S — CID 104997166

IUPAC1-(3-bromo-2-chlorophenyl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
SMILESCNC(Cc1csc(C)n1)c1cccc(Br)c1Cl
InChIInChI=1S/C13H14BrClN2S/c1-8-17-9(7-18-8)6-12(16-2)10-4-3-5-11(14)13(10)15/h3-5,7,12,16H,6H2,1-2H3
InChIKeyPLWHBIJBORUKHC-UHFFFAOYSA-N
MW345.69 g/mol
LogP4.37
Rot. Bonds4

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

1-(3-bromo-2-chlorophenyl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine (PubChem CID 104997166) has the molecular formula C13H14BrClN2S and a molecular weight of 345.69 g/mol. Its IUPAC name is 1-(3-bromo-2-chlorophenyl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine.

Molecular Properties

Compound Name1-(3-bromo-2-chlorophenyl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
PubChem CID104997166
Molecular FormulaC13H14BrClN2S
Molecular Weight345.69 g/mol
Exact Mass343.97
IUPAC Name1-(3-bromo-2-chlorophenyl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
SMILESCNC(Cc1csc(C)n1)c1cccc(Br)c1Cl
InChIInChI=1S/C13H14BrClN2S/c1-8-17-9(7-18-8)6-12(16-2)10-4-3-5-11(14)13(10)15/h3-5,7,12,16H,6H2,1-2H3
InChIKeyPLWHBIJBORUKHC-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-(2-chlorofuran-3-yl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 106692348
N-methyl-2-(2-methyl-1,3-thiazol-4-yl)-1-quinolin-5-ylethanamine
CID 81232102
1-(2,5-dibromothiophen-3-yl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 107968485
1-(2-chloro-6-fluorophenyl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 104997235
1-(3-bromo-2-chlorophenyl)-2-(4-fluoro-2-methylphenyl)-N-methylethanamine
CID 105051201
2-(3-bromo-2-chlorophenyl)-2-(methylamino)ethanol
CID 130041390
1-(2-fluoro-5-methylphenyl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 62800227
1-(3-bromo-2-chlorophenyl)-2-(2,5-dimethylpyrazol-3-yl)-N-methylethanamine
CID 104996334
1-(2,5-dimethoxyphenyl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 62799340
1-(5-fluoro-2-methoxyphenyl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 82769777
1-(3-bromo-2-chlorophenyl)-2-methoxy-N-methylethanamine
CID 105008942
1-(2-methoxy-4-methylphenyl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 106791883

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2-chlorophenyl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine?
The IUPAC name of 1-(3-bromo-2-chlorophenyl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine (CID 104997166) is 1-(3-bromo-2-chlorophenyl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine.
What is the SMILES notation for 1-(3-bromo-2-chlorophenyl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine?
The canonical SMILES for 1-(3-bromo-2-chlorophenyl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine is CNC(Cc1csc(C)n1)c1cccc(Br)c1Cl.
What is the InChIKey of 1-(3-bromo-2-chlorophenyl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine?
The InChIKey is PLWHBIJBORUKHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrClN2S/c1-8-17-9(7-18-8)6-12(16-2)10-4-3-5-11(14)13(10)15/h3-5,7,12,16H,6H2,1-2H3.
What are the key properties of 1-(3-bromo-2-chlorophenyl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine?
1-(3-bromo-2-chlorophenyl)-N-methyl-2-(2-methyl-1,3-thiazol-4-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-2-chlorophenyl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine is sourced from PubChem (CID 104997166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).