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

C13H15BrN2S — CID 116888139

IUPAC2-[2-(5-bromo-2-methylphenyl)-1,3-thiazol-4-yl]-N-methylethanamine
SMILESCNCCc1csc(-c2cc(Br)ccc2C)n1
InChIInChI=1S/C13H15BrN2S/c1-9-3-4-10(14)7-12(9)13-16-11(8-17-13)5-6-15-2/h3-4,7-8,15H,5-6H2,1-2H3
InChIKeyMLVJSOPHOFENAN-UHFFFAOYSA-N
MW311.25 g/mol
LogP3.64
Rot. Bonds4

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

2-[2-(5-bromo-2-methylphenyl)-1,3-thiazol-4-yl]-N-methylethanamine (PubChem CID 116888139) has the molecular formula C13H15BrN2S and a molecular weight of 311.25 g/mol. Its IUPAC name is 2-[2-(5-bromo-2-methylphenyl)-1,3-thiazol-4-yl]-N-methylethanamine.

Molecular Properties

Compound Name2-[2-(5-bromo-2-methylphenyl)-1,3-thiazol-4-yl]-N-methylethanamine
PubChem CID116888139
Molecular FormulaC13H15BrN2S
Molecular Weight311.25 g/mol
Exact Mass310.01
IUPAC Name2-[2-(5-bromo-2-methylphenyl)-1,3-thiazol-4-yl]-N-methylethanamine
SMILESCNCCc1csc(-c2cc(Br)ccc2C)n1
InChIInChI=1S/C13H15BrN2S/c1-9-3-4-10(14)7-12(9)13-16-11(8-17-13)5-6-15-2/h3-4,7-8,15H,5-6H2,1-2H3
InChIKeyMLVJSOPHOFENAN-UHFFFAOYSA-N
XLogP3.64
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.25
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(5-bromo-2-methoxyphenyl)-1,3-thiazol-4-yl]-N-methylethanamine
CID 116888128
3-[2-(2,5-dimethylphenyl)-1,3-thiazol-4-yl]-N-methylpropan-1-amine
CID 116888293
4-bromo-2-(5-bromo-2-methylphenyl)-1,3-thiazole
CID 116892245
2-(5-bromo-2-methylphenyl)-1,3-thiazol-4-amine
CID 116864241
N-methyl-2-[2-(5-methylthiophen-2-yl)-1,3-thiazol-4-yl]ethanamine
CID 115089122
2-[2-(5-bromofuran-2-yl)-1,3-thiazol-4-yl]-N-methylethanamine
CID 115089119
2-[2-(2,5-difluorophenyl)-1,3-thiazol-4-yl]-N-methylethanamine
CID 114275577
2-(5-bromo-2-methylphenyl)-4-(pyrrolidin-3-ylmethyl)-1,3-thiazole
CID 116888773
2-[2-(4-bromo-2-chlorophenyl)-1,3-thiazol-4-yl]-N-ethylethanamine
CID 114275704
1-[2-(4-bromo-2-fluorophenyl)-1,3-thiazol-4-yl]-N-methylmethanamine
CID 114906976
2-[2-(5-chlorofuran-2-yl)-1,3-thiazol-4-yl]-N-methylethanamine
CID 115089115
2-(5-bromo-2-fluorophenyl)-4-(2-chloroethyl)-1,3-thiazole
CID 116889010

Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-bromo-2-methylphenyl)-1,3-thiazol-4-yl]-N-methylethanamine?
The IUPAC name of 2-[2-(5-bromo-2-methylphenyl)-1,3-thiazol-4-yl]-N-methylethanamine (CID 116888139) is 2-[2-(5-bromo-2-methylphenyl)-1,3-thiazol-4-yl]-N-methylethanamine.
What is the SMILES notation for 2-[2-(5-bromo-2-methylphenyl)-1,3-thiazol-4-yl]-N-methylethanamine?
The canonical SMILES for 2-[2-(5-bromo-2-methylphenyl)-1,3-thiazol-4-yl]-N-methylethanamine is CNCCc1csc(-c2cc(Br)ccc2C)n1.
What is the InChIKey of 2-[2-(5-bromo-2-methylphenyl)-1,3-thiazol-4-yl]-N-methylethanamine?
The InChIKey is MLVJSOPHOFENAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2S/c1-9-3-4-10(14)7-12(9)13-16-11(8-17-13)5-6-15-2/h3-4,7-8,15H,5-6H2,1-2H3.
What are the key properties of 2-[2-(5-bromo-2-methylphenyl)-1,3-thiazol-4-yl]-N-methylethanamine?
2-[2-(5-bromo-2-methylphenyl)-1,3-thiazol-4-yl]-N-methylethanamine has a molecular weight of 311.25 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-bromo-2-methylphenyl)-1,3-thiazol-4-yl]-N-methylethanamine is sourced from PubChem (CID 116888139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).