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

C12H12BrClN2S — CID 114025336

IUPAC1-(2-bromo-4-chlorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
SMILESCc1csc(CC(N)c2ccc(Cl)cc2Br)n1
InChIInChI=1S/C12H12BrClN2S/c1-7-6-17-12(16-7)5-11(15)9-3-2-8(14)4-10(9)13/h2-4,6,11H,5,15H2,1H3
InChIKeyOOYDUNVLRZZCDI-UHFFFAOYSA-N
MW331.67 g/mol
LogP4.11
Rot. Bonds3

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

1-(2-bromo-4-chlorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine (PubChem CID 114025336) has the molecular formula C12H12BrClN2S and a molecular weight of 331.67 g/mol. Its IUPAC name is 1-(2-bromo-4-chlorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine.

Molecular Properties

Compound Name1-(2-bromo-4-chlorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
PubChem CID114025336
Molecular FormulaC12H12BrClN2S
Molecular Weight331.67 g/mol
Exact Mass329.96
IUPAC Name1-(2-bromo-4-chlorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
SMILESCc1csc(CC(N)c2ccc(Cl)cc2Br)n1
InChIInChI=1S/C12H12BrClN2S/c1-7-6-17-12(16-7)5-11(15)9-3-2-8(14)4-10(9)13/h2-4,6,11H,5,15H2,1H3
InChIKeyOOYDUNVLRZZCDI-UHFFFAOYSA-N
XLogP4.11
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.67
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-bromo-4-methylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 105019465
1-(2,4-dichlorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 82066949
1-(5-chloro-2-methylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 105019329
1-[2-bromo-5-(trifluoromethyl)phenyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 105019185
2-(4-methyl-1,3-thiazol-2-yl)-1-(2,4,5-trimethylphenyl)ethanamine
CID 64989653
1-(2-bromo-4-chlorophenyl)-2-(1,3-thiazol-5-yl)ethanamine
CID 107994960
1-(3-chlorothiophen-2-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 105019424
[1-(2-bromo-4-fluorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]hydrazine
CID 105326577
1-(2,5-dichlorophenyl)-N-ethyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 62797403
1-(2-bromo-4-chlorophenyl)-4-methylpentan-1-amine
CID 103947027
3-(3-chlorophenoxy)-1-(4-methyl-1,3-thiazol-2-yl)butan-2-amine
CID 105171525
1-(2-bromo-4-chlorophenyl)-2-quinolin-2-ylethanamine
CID 107989064

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-chlorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine?
The IUPAC name of 1-(2-bromo-4-chlorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine (CID 114025336) is 1-(2-bromo-4-chlorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine.
What is the SMILES notation for 1-(2-bromo-4-chlorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine?
The canonical SMILES for 1-(2-bromo-4-chlorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine is Cc1csc(CC(N)c2ccc(Cl)cc2Br)n1.
What is the InChIKey of 1-(2-bromo-4-chlorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine?
The InChIKey is OOYDUNVLRZZCDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrClN2S/c1-7-6-17-12(16-7)5-11(15)9-3-2-8(14)4-10(9)13/h2-4,6,11H,5,15H2,1H3.
What are the key properties of 1-(2-bromo-4-chlorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine?
1-(2-bromo-4-chlorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine has a molecular weight of 331.67 g/mol, XLogP of 4.11, 3 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)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine is sourced from PubChem (CID 114025336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).