1-(2-bromo-4-chlorophenyl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine

C12H12BrClN2S — CID 114025371

IUPAC1-(2-bromo-4-chlorophenyl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine
SMILESCNC(Cc1cncs1)c1ccc(Cl)cc1Br
InChIInChI=1S/C12H12BrClN2S/c1-15-12(5-9-6-16-7-17-9)10-3-2-8(14)4-11(10)13/h2-4,6-7,12,15H,5H2,1H3
InChIKeyWBVFLKOEVKQAII-UHFFFAOYSA-N
MW331.67 g/mol
LogP4.06
Rot. Bonds4

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

1-(2-bromo-4-chlorophenyl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine (PubChem CID 114025371) has the molecular formula C12H12BrClN2S and a molecular weight of 331.67 g/mol. Its IUPAC name is 1-(2-bromo-4-chlorophenyl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine.

Molecular Properties

Compound Name1-(2-bromo-4-chlorophenyl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine
PubChem CID114025371
Molecular FormulaC12H12BrClN2S
Molecular Weight331.67 g/mol
Exact Mass329.96
IUPAC Name1-(2-bromo-4-chlorophenyl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine
SMILESCNC(Cc1cncs1)c1ccc(Cl)cc1Br
InChIInChI=1S/C12H12BrClN2S/c1-15-12(5-9-6-16-7-17-9)10-3-2-8(14)4-11(10)13/h2-4,6-7,12,15H,5H2,1H3
InChIKeyWBVFLKOEVKQAII-UHFFFAOYSA-N
XLogP4.06
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.67
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-dibromophenyl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine
CID 114019360
1-(5-chloro-2-fluorophenyl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine
CID 114886134
1-(2-bromo-4-chlorophenyl)-2-(1,3-thiazol-5-yl)ethanamine
CID 107994960
1-(2-chlorofuran-3-yl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine
CID 106692940
1-(2-bromo-4-chlorophenyl)-2-(5-bromothiophen-2-yl)-N-methylethanamine
CID 114025025
1-(2-chloro-3-fluorophenyl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine
CID 105030273
1-(3-chlorophenyl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine
CID 112642744
1-(4-chloro-2,5-difluorophenyl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine
CID 105030456
1-(2,4-dibromophenyl)-N-ethyl-2-(1,3-thiazol-5-yl)ethanamine
CID 107946640
1-(2-bromo-3-methylphenyl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine
CID 107985345
1-(3-chloro-5-methylphenyl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine
CID 105030810
1-(3,5-dibromo-2-pyridinyl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine
CID 113398626

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-chlorophenyl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine?
The IUPAC name of 1-(2-bromo-4-chlorophenyl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine (CID 114025371) is 1-(2-bromo-4-chlorophenyl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine.
What is the SMILES notation for 1-(2-bromo-4-chlorophenyl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine?
The canonical SMILES for 1-(2-bromo-4-chlorophenyl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine is CNC(Cc1cncs1)c1ccc(Cl)cc1Br.
What is the InChIKey of 1-(2-bromo-4-chlorophenyl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine?
The InChIKey is WBVFLKOEVKQAII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrClN2S/c1-15-12(5-9-6-16-7-17-9)10-3-2-8(14)4-11(10)13/h2-4,6-7,12,15H,5H2,1H3.
What are the key properties of 1-(2-bromo-4-chlorophenyl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine?
1-(2-bromo-4-chlorophenyl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine has a molecular weight of 331.67 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-chlorophenyl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine is sourced from PubChem (CID 114025371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).