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

C5H6Br2N2S — CID 130090847

IUPAC1-(2,4-dibromo-1,3-thiazol-5-yl)ethanamine
SMILESCC(N)c1sc(Br)nc1Br
InChIInChI=1S/C5H6Br2N2S/c1-2(8)3-4(6)9-5(7)10-3/h2H,8H2,1H3
InChIKeyOEIXKHVRLPWZBM-UHFFFAOYSA-N
MW285.99 g/mol
LogP2.69
Rot. Bonds1

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

1-(2,4-dibromo-1,3-thiazol-5-yl)ethanamine (PubChem CID 130090847) has the molecular formula C5H6Br2N2S and a molecular weight of 285.99 g/mol. Its IUPAC name is 1-(2,4-dibromo-1,3-thiazol-5-yl)ethanamine.

Molecular Properties

Compound Name1-(2,4-dibromo-1,3-thiazol-5-yl)ethanamine
PubChem CID130090847
Molecular FormulaC5H6Br2N2S
Molecular Weight285.99 g/mol
Exact Mass283.86
IUPAC Name1-(2,4-dibromo-1,3-thiazol-5-yl)ethanamine
SMILESCC(N)c1sc(Br)nc1Br
InChIInChI=1S/C5H6Br2N2S/c1-2(8)3-4(6)9-5(7)10-3/h2H,8H2,1H3
InChIKeyOEIXKHVRLPWZBM-UHFFFAOYSA-N
XLogP2.69
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.99
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-bromo-5-(2-methylpropyl)-1,3-thiazol-2-yl]ethanamine
CID 83693661
1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine
CID 19805509
5-(1-aminoethyl)-4-methyl-1,3-thiazol-2-amine
CID 61295642
1-(4-bromo-5-tert-butyl-1,3-thiazol-2-yl)ethanamine
CID 83693671
[1-(2,4-dibromo-1,3-thiazol-5-yl)-2,2-dimethylpropoxy]-dimethylsilane
CID 173095524
1-(7-bromo-[1,2]thiazolo[4,3-d]pyrimidin-3-yl)ethanamine
CID 82380283
1-(2-pentan-3-yl-4-propan-2-yl-1,3-thiazol-5-yl)ethanamine
CID 82434753
1-(2,4-diethyl-1,3-thiazol-5-yl)ethanamine
CID 82428207
1-[4-bromo-5-(methoxymethyl)-1,3-thiazol-2-yl]ethanamine
CID 83693258
(1S)-1-(2-bromo-1,3-thiazol-5-yl)ethanamine
CID 96955798
1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]ethanamine
CID 63752942
1-[2-(4,4-dimethylcyclohexyl)-4-methyl-1,3-thiazol-5-yl]ethanamine
CID 65390265

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dibromo-1,3-thiazol-5-yl)ethanamine?
The IUPAC name of 1-(2,4-dibromo-1,3-thiazol-5-yl)ethanamine (CID 130090847) is 1-(2,4-dibromo-1,3-thiazol-5-yl)ethanamine.
What is the SMILES notation for 1-(2,4-dibromo-1,3-thiazol-5-yl)ethanamine?
The canonical SMILES for 1-(2,4-dibromo-1,3-thiazol-5-yl)ethanamine is CC(N)c1sc(Br)nc1Br.
What is the InChIKey of 1-(2,4-dibromo-1,3-thiazol-5-yl)ethanamine?
The InChIKey is OEIXKHVRLPWZBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6Br2N2S/c1-2(8)3-4(6)9-5(7)10-3/h2H,8H2,1H3.
What are the key properties of 1-(2,4-dibromo-1,3-thiazol-5-yl)ethanamine?
1-(2,4-dibromo-1,3-thiazol-5-yl)ethanamine has a molecular weight of 285.99 g/mol, XLogP of 2.69, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dibromo-1,3-thiazol-5-yl)ethanamine is sourced from PubChem (CID 130090847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).