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

C12H13BrN2S — CID 3289571

IUPAC2-[4-(2-bromo-5-methylphenyl)-1,3-thiazol-2-yl]ethanamine
SMILESCc1ccc(Br)c(-c2csc(CCN)n2)c1
InChIInChI=1S/C12H13BrN2S/c1-8-2-3-10(13)9(6-8)11-7-16-12(15-11)4-5-14/h2-3,6-7H,4-5,14H2,1H3
InChIKeyTYLIZJXEQJLTCZ-UHFFFAOYSA-N
MW297.22 g/mol
LogP3.38
Rot. Bonds3

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

2-[4-(2-bromo-5-methylphenyl)-1,3-thiazol-2-yl]ethanamine (PubChem CID 3289571) has the molecular formula C12H13BrN2S and a molecular weight of 297.22 g/mol. Its IUPAC name is 2-[4-(2-bromo-5-methylphenyl)-1,3-thiazol-2-yl]ethanamine.

Molecular Properties

Compound Name2-[4-(2-bromo-5-methylphenyl)-1,3-thiazol-2-yl]ethanamine
PubChem CID3289571
Molecular FormulaC12H13BrN2S
Molecular Weight297.22 g/mol
Exact Mass296.00
IUPAC Name2-[4-(2-bromo-5-methylphenyl)-1,3-thiazol-2-yl]ethanamine
SMILESCc1ccc(Br)c(-c2csc(CCN)n2)c1
InChIInChI=1S/C12H13BrN2S/c1-8-2-3-10(13)9(6-8)11-7-16-12(15-11)4-5-14/h2-3,6-7H,4-5,14H2,1H3
InChIKeyTYLIZJXEQJLTCZ-UHFFFAOYSA-N
XLogP3.38
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.22
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-bromo-5-methylphenyl)-1,3-thiazol-2-yl]ethanamine?
The IUPAC name of 2-[4-(2-bromo-5-methylphenyl)-1,3-thiazol-2-yl]ethanamine (CID 3289571) is 2-[4-(2-bromo-5-methylphenyl)-1,3-thiazol-2-yl]ethanamine.
What is the SMILES notation for 2-[4-(2-bromo-5-methylphenyl)-1,3-thiazol-2-yl]ethanamine?
The canonical SMILES for 2-[4-(2-bromo-5-methylphenyl)-1,3-thiazol-2-yl]ethanamine is Cc1ccc(Br)c(-c2csc(CCN)n2)c1.
What is the InChIKey of 2-[4-(2-bromo-5-methylphenyl)-1,3-thiazol-2-yl]ethanamine?
The InChIKey is TYLIZJXEQJLTCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2S/c1-8-2-3-10(13)9(6-8)11-7-16-12(15-11)4-5-14/h2-3,6-7H,4-5,14H2,1H3.
What are the key properties of 2-[4-(2-bromo-5-methylphenyl)-1,3-thiazol-2-yl]ethanamine?
2-[4-(2-bromo-5-methylphenyl)-1,3-thiazol-2-yl]ethanamine has a molecular weight of 297.22 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-bromo-5-methylphenyl)-1,3-thiazol-2-yl]ethanamine is sourced from PubChem (CID 3289571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).