2-[5-bromo-2-(2,4,6-trimethylphenyl)-1,3-thiazol-4-yl]ethanamine

C14H17BrN2S — CID 84606530

IUPAC2-[5-bromo-2-(2,4,6-trimethylphenyl)-1,3-thiazol-4-yl]ethanamine
SMILESCc1cc(C)c(-c2nc(CCN)c(Br)s2)c(C)c1
InChIInChI=1S/C14H17BrN2S/c1-8-6-9(2)12(10(3)7-8)14-17-11(4-5-16)13(15)18-14/h6-7H,4-5,16H2,1-3H3
InChIKeyCNMJSRRREKQNND-UHFFFAOYSA-N
MW325.28 g/mol
LogP4.00
Rot. Bonds3

About 2-[5-bromo-2-(2,4,6-trimethylphenyl)-1,3-thiazol-4-yl]ethanamine

2-[5-bromo-2-(2,4,6-trimethylphenyl)-1,3-thiazol-4-yl]ethanamine (PubChem CID 84606530) has the molecular formula C14H17BrN2S and a molecular weight of 325.28 g/mol. Its IUPAC name is 2-[5-bromo-2-(2,4,6-trimethylphenyl)-1,3-thiazol-4-yl]ethanamine.

Molecular Properties

Compound Name2-[5-bromo-2-(2,4,6-trimethylphenyl)-1,3-thiazol-4-yl]ethanamine
PubChem CID84606530
Molecular FormulaC14H17BrN2S
Molecular Weight325.28 g/mol
Exact Mass324.03
IUPAC Name2-[5-bromo-2-(2,4,6-trimethylphenyl)-1,3-thiazol-4-yl]ethanamine
SMILESCc1cc(C)c(-c2nc(CCN)c(Br)s2)c(C)c1
InChIInChI=1S/C14H17BrN2S/c1-8-6-9(2)12(10(3)7-8)14-17-11(4-5-16)13(15)18-14/h6-7H,4-5,16H2,1-3H3
InChIKeyCNMJSRRREKQNND-UHFFFAOYSA-N
XLogP4.00
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.28
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[5-bromo-2-(2,4,6-trimethylphenyl)-1,3-thiazol-4-yl]ethanamine?
The IUPAC name of 2-[5-bromo-2-(2,4,6-trimethylphenyl)-1,3-thiazol-4-yl]ethanamine (CID 84606530) is 2-[5-bromo-2-(2,4,6-trimethylphenyl)-1,3-thiazol-4-yl]ethanamine.
What is the SMILES notation for 2-[5-bromo-2-(2,4,6-trimethylphenyl)-1,3-thiazol-4-yl]ethanamine?
The canonical SMILES for 2-[5-bromo-2-(2,4,6-trimethylphenyl)-1,3-thiazol-4-yl]ethanamine is Cc1cc(C)c(-c2nc(CCN)c(Br)s2)c(C)c1.
What is the InChIKey of 2-[5-bromo-2-(2,4,6-trimethylphenyl)-1,3-thiazol-4-yl]ethanamine?
The InChIKey is CNMJSRRREKQNND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2S/c1-8-6-9(2)12(10(3)7-8)14-17-11(4-5-16)13(15)18-14/h6-7H,4-5,16H2,1-3H3.
What are the key properties of 2-[5-bromo-2-(2,4,6-trimethylphenyl)-1,3-thiazol-4-yl]ethanamine?
2-[5-bromo-2-(2,4,6-trimethylphenyl)-1,3-thiazol-4-yl]ethanamine has a molecular weight of 325.28 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-bromo-2-(2,4,6-trimethylphenyl)-1,3-thiazol-4-yl]ethanamine is sourced from PubChem (CID 84606530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).