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

C11H10BrClN2S — CID 107994960

IUPAC1-(2-bromo-4-chlorophenyl)-2-(1,3-thiazol-5-yl)ethanamine
SMILESNC(Cc1cncs1)c1ccc(Cl)cc1Br
InChIInChI=1S/C11H10BrClN2S/c12-10-3-7(13)1-2-9(10)11(14)4-8-5-15-6-16-8/h1-3,5-6,11H,4,14H2
InChIKeyFOCKQZAJZLEMPM-UHFFFAOYSA-N
MW317.64 g/mol
LogP3.80
Rot. Bonds3

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

1-(2-bromo-4-chlorophenyl)-2-(1,3-thiazol-5-yl)ethanamine (PubChem CID 107994960) has the molecular formula C11H10BrClN2S and a molecular weight of 317.64 g/mol. Its IUPAC name is 1-(2-bromo-4-chlorophenyl)-2-(1,3-thiazol-5-yl)ethanamine.

Molecular Properties

Compound Name1-(2-bromo-4-chlorophenyl)-2-(1,3-thiazol-5-yl)ethanamine
PubChem CID107994960
Molecular FormulaC11H10BrClN2S
Molecular Weight317.64 g/mol
Exact Mass315.94
IUPAC Name1-(2-bromo-4-chlorophenyl)-2-(1,3-thiazol-5-yl)ethanamine
SMILESNC(Cc1cncs1)c1ccc(Cl)cc1Br
InChIInChI=1S/C11H10BrClN2S/c12-10-3-7(13)1-2-9(10)11(14)4-8-5-15-6-16-8/h1-3,5-6,11H,4,14H2
InChIKeyFOCKQZAJZLEMPM-UHFFFAOYSA-N
XLogP3.80
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.64
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-bromo-4-chlorophenyl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine
CID 114025371
1-(3-bromo-4-fluorophenyl)-2-(1,3-thiazol-5-yl)ethanamine
CID 112643573
1-(2-bromo-4-chlorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 114025336
1-(2-bromo-4-chlorophenyl)-2-(3-chloro-4-fluorophenyl)ethanamine
CID 107995838
1-(5-bromofuran-3-yl)-2-(1,3-thiazol-5-yl)ethanamine
CID 131031441
(1S)-1-(2-bromo-4-chlorophenyl)butane-1,4-diamine;hydrochloride
CID 171223334
(1R)-1-(2-bromo-4-chlorophenyl)-3-fluoropropan-1-amine
CID 131362641
1-pyridin-4-yl-2-(1,3-thiazol-5-yl)ethanamine
CID 112642722
1-(2-bromo-4-chlorophenyl)octan-1-amine
CID 107992453
1-(2-methoxyphenyl)-2-(1,3-thiazol-5-yl)ethanamine
CID 112642679
1-(5-chloro-2-fluorophenyl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine
CID 114886134
1-(2,4-dibromophenyl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine
CID 114019360

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-chlorophenyl)-2-(1,3-thiazol-5-yl)ethanamine?
The IUPAC name of 1-(2-bromo-4-chlorophenyl)-2-(1,3-thiazol-5-yl)ethanamine (CID 107994960) is 1-(2-bromo-4-chlorophenyl)-2-(1,3-thiazol-5-yl)ethanamine.
What is the SMILES notation for 1-(2-bromo-4-chlorophenyl)-2-(1,3-thiazol-5-yl)ethanamine?
The canonical SMILES for 1-(2-bromo-4-chlorophenyl)-2-(1,3-thiazol-5-yl)ethanamine is NC(Cc1cncs1)c1ccc(Cl)cc1Br.
What is the InChIKey of 1-(2-bromo-4-chlorophenyl)-2-(1,3-thiazol-5-yl)ethanamine?
The InChIKey is FOCKQZAJZLEMPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrClN2S/c12-10-3-7(13)1-2-9(10)11(14)4-8-5-15-6-16-8/h1-3,5-6,11H,4,14H2.
What are the key properties of 1-(2-bromo-4-chlorophenyl)-2-(1,3-thiazol-5-yl)ethanamine?
1-(2-bromo-4-chlorophenyl)-2-(1,3-thiazol-5-yl)ethanamine has a molecular weight of 317.64 g/mol, XLogP of 3.80, 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-(1,3-thiazol-5-yl)ethanamine is sourced from PubChem (CID 107994960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).