2-[2-(2-bromophenyl)-1,3-thiazol-5-yl]ethanamine

C11H11BrN2S — CID 82307426

IUPAC2-[2-(2-bromophenyl)-1,3-thiazol-5-yl]ethanamine
SMILESNCCc1cnc(-c2ccccc2Br)s1
InChIInChI=1S/C11H11BrN2S/c12-10-4-2-1-3-9(10)11-14-7-8(15-11)5-6-13/h1-4,7H,5-6,13H2
InChIKeyZZYQVNFRAXUIPY-UHFFFAOYSA-N
MW283.19 g/mol
LogP3.07
Rot. Bonds3

About 2-[2-(2-bromophenyl)-1,3-thiazol-5-yl]ethanamine

2-[2-(2-bromophenyl)-1,3-thiazol-5-yl]ethanamine (PubChem CID 82307426) has the molecular formula C11H11BrN2S and a molecular weight of 283.19 g/mol. Its IUPAC name is 2-[2-(2-bromophenyl)-1,3-thiazol-5-yl]ethanamine.

Molecular Properties

Compound Name2-[2-(2-bromophenyl)-1,3-thiazol-5-yl]ethanamine
PubChem CID82307426
Molecular FormulaC11H11BrN2S
Molecular Weight283.19 g/mol
Exact Mass281.98
IUPAC Name2-[2-(2-bromophenyl)-1,3-thiazol-5-yl]ethanamine
SMILESNCCc1cnc(-c2ccccc2Br)s1
InChIInChI=1S/C11H11BrN2S/c12-10-4-2-1-3-9(10)11-14-7-8(15-11)5-6-13/h1-4,7H,5-6,13H2
InChIKeyZZYQVNFRAXUIPY-UHFFFAOYSA-N
XLogP3.07
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.19
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-bromophenyl)-1,3-thiazol-5-yl]ethanamine?
The IUPAC name of 2-[2-(2-bromophenyl)-1,3-thiazol-5-yl]ethanamine (CID 82307426) is 2-[2-(2-bromophenyl)-1,3-thiazol-5-yl]ethanamine.
What is the SMILES notation for 2-[2-(2-bromophenyl)-1,3-thiazol-5-yl]ethanamine?
The canonical SMILES for 2-[2-(2-bromophenyl)-1,3-thiazol-5-yl]ethanamine is NCCc1cnc(-c2ccccc2Br)s1.
What is the InChIKey of 2-[2-(2-bromophenyl)-1,3-thiazol-5-yl]ethanamine?
The InChIKey is ZZYQVNFRAXUIPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2S/c12-10-4-2-1-3-9(10)11-14-7-8(15-11)5-6-13/h1-4,7H,5-6,13H2.
What are the key properties of 2-[2-(2-bromophenyl)-1,3-thiazol-5-yl]ethanamine?
2-[2-(2-bromophenyl)-1,3-thiazol-5-yl]ethanamine has a molecular weight of 283.19 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-bromophenyl)-1,3-thiazol-5-yl]ethanamine is sourced from PubChem (CID 82307426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).