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

C7H11BrN2S — CID 83824283

IUPAC2-(4-bromo-2-ethyl-1,3-thiazol-5-yl)ethanamine
SMILESCCc1nc(Br)c(CCN)s1
InChIInChI=1S/C7H11BrN2S/c1-2-6-10-7(8)5(11-6)3-4-9/h2-4,9H2,1H3
InChIKeyPSGSPHPZLLMKRA-UHFFFAOYSA-N
MW235.15 g/mol
LogP1.97
Rot. Bonds3

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

2-(4-bromo-2-ethyl-1,3-thiazol-5-yl)ethanamine (PubChem CID 83824283) has the molecular formula C7H11BrN2S and a molecular weight of 235.15 g/mol. Its IUPAC name is 2-(4-bromo-2-ethyl-1,3-thiazol-5-yl)ethanamine.

Molecular Properties

Compound Name2-(4-bromo-2-ethyl-1,3-thiazol-5-yl)ethanamine
PubChem CID83824283
Molecular FormulaC7H11BrN2S
Molecular Weight235.15 g/mol
Exact Mass233.98
IUPAC Name2-(4-bromo-2-ethyl-1,3-thiazol-5-yl)ethanamine
SMILESCCc1nc(Br)c(CCN)s1
InChIInChI=1S/C7H11BrN2S/c1-2-6-10-7(8)5(11-6)3-4-9/h2-4,9H2,1H3
InChIKeyPSGSPHPZLLMKRA-UHFFFAOYSA-N
XLogP1.97
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.15
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-bromo-2-(2-methylpropyl)-1,3-thiazol-5-yl]ethanamine
CID 83825855
2-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethanamine
CID 79002022
2-[4-(4-chlorophenyl)-2-ethyl-1,3-thiazol-5-yl]ethanamine
CID 82069519
3-[4-bromo-5-(methoxymethyl)-1,3-thiazol-2-yl]propan-1-amine
CID 83693736
2-(4,5-diethyl-1,3-thiazol-2-yl)ethanamine
CID 105441378
2-(2-aminoethyl)-5-ethyl-1,3-thiazole-4-carboxylic acid
CID 83531807
5-bromo-2-ethyl-4-propyl-1,3-thiazole
CID 130153388
(4-cyclopropyl-2-ethyl-1,3-thiazol-5-yl)methanamine
CID 82435899
2-[2-(2,2-dimethylpropyl)-4-methyl-1,3-thiazol-5-yl]ethanamine
CID 79154268
2-(2-ethyl-1,3-thiazol-5-yl)ethanamine
CID 83682105
2-(3-ethyl-1,2,4-thiadiazol-5-yl)ethanamine
CID 65280810
(4,5-diethyl-1,3-thiazol-2-yl)methanamine
CID 105434611

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-ethyl-1,3-thiazol-5-yl)ethanamine?
The IUPAC name of 2-(4-bromo-2-ethyl-1,3-thiazol-5-yl)ethanamine (CID 83824283) is 2-(4-bromo-2-ethyl-1,3-thiazol-5-yl)ethanamine.
What is the SMILES notation for 2-(4-bromo-2-ethyl-1,3-thiazol-5-yl)ethanamine?
The canonical SMILES for 2-(4-bromo-2-ethyl-1,3-thiazol-5-yl)ethanamine is CCc1nc(Br)c(CCN)s1.
What is the InChIKey of 2-(4-bromo-2-ethyl-1,3-thiazol-5-yl)ethanamine?
The InChIKey is PSGSPHPZLLMKRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11BrN2S/c1-2-6-10-7(8)5(11-6)3-4-9/h2-4,9H2,1H3.
What are the key properties of 2-(4-bromo-2-ethyl-1,3-thiazol-5-yl)ethanamine?
2-(4-bromo-2-ethyl-1,3-thiazol-5-yl)ethanamine has a molecular weight of 235.15 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-ethyl-1,3-thiazol-5-yl)ethanamine is sourced from PubChem (CID 83824283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).