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

C15H19BrN2S — CID 84612057

IUPAC2-[4-bromo-2-(2,4,6-trimethylphenyl)-1,3-thiazol-5-yl]-N-methylethanamine
SMILESCNCCc1sc(-c2c(C)cc(C)cc2C)nc1Br
InChIInChI=1S/C15H19BrN2S/c1-9-7-10(2)13(11(3)8-9)15-18-14(16)12(19-15)5-6-17-4/h7-8,17H,5-6H2,1-4H3
InChIKeyQXPADQCBEKBUQL-UHFFFAOYSA-N
MW339.30 g/mol
LogP4.26
Rot. Bonds4

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

2-[4-bromo-2-(2,4,6-trimethylphenyl)-1,3-thiazol-5-yl]-N-methylethanamine (PubChem CID 84612057) has the molecular formula C15H19BrN2S and a molecular weight of 339.30 g/mol. Its IUPAC name is 2-[4-bromo-2-(2,4,6-trimethylphenyl)-1,3-thiazol-5-yl]-N-methylethanamine.

Molecular Properties

Compound Name2-[4-bromo-2-(2,4,6-trimethylphenyl)-1,3-thiazol-5-yl]-N-methylethanamine
PubChem CID84612057
Molecular FormulaC15H19BrN2S
Molecular Weight339.30 g/mol
Exact Mass338.05
IUPAC Name2-[4-bromo-2-(2,4,6-trimethylphenyl)-1,3-thiazol-5-yl]-N-methylethanamine
SMILESCNCCc1sc(-c2c(C)cc(C)cc2C)nc1Br
InChIInChI=1S/C15H19BrN2S/c1-9-7-10(2)13(11(3)8-9)15-18-14(16)12(19-15)5-6-17-4/h7-8,17H,5-6H2,1-4H3
InChIKeyQXPADQCBEKBUQL-UHFFFAOYSA-N
XLogP4.26
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.30
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-bromo-2-(2,4,6-trimethylphenyl)-1,3-thiazol-4-yl]ethanamine
CID 84606530
N-methyl-1-[4-methyl-2-(2,4,6-trimethylphenyl)-1,3-thiazol-5-yl]ethanamine
CID 61280133
5-chloro-4-methyl-2-(2,4,6-trimethylphenyl)-1,3-thiazole
CID 116887984
2-[4-bromo-3-(2,4,6-trimethylphenyl)-1H-pyrazol-5-yl]-N-methylethanamine
CID 84605001
3-[2-(3-bromophenyl)-4-methyl-1,3-thiazol-5-yl]-N-methylpropan-1-amine
CID 116884770
[2-(2-methoxy-4,6-dimethylphenyl)-4-methyl-1,3-thiazol-5-yl]methanamine
CID 116868171
2-[2-(5-bromo-2-methylphenyl)-1,3-thiazol-4-yl]-N-methylethanamine
CID 116888139
1-[2-(4-bromo-3,5-dimethylphenyl)-4-tert-butyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114362506
N,N,2,6,8-pentamethyl-3-[2-(methylamino)ethyl]quinolin-4-amine
CID 82247605
N'-(3,5-dimethylphenyl)-N-[2-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]oxamide
CID 7222985
1-[2-(3-bromo-4-methylphenyl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 107915426
4-methyl-2-(2,4,6-trimethylphenyl)-1,3-thiazole
CID 116891883

Frequently Asked Questions

What is the IUPAC name of 2-[4-bromo-2-(2,4,6-trimethylphenyl)-1,3-thiazol-5-yl]-N-methylethanamine?
The IUPAC name of 2-[4-bromo-2-(2,4,6-trimethylphenyl)-1,3-thiazol-5-yl]-N-methylethanamine (CID 84612057) is 2-[4-bromo-2-(2,4,6-trimethylphenyl)-1,3-thiazol-5-yl]-N-methylethanamine.
What is the SMILES notation for 2-[4-bromo-2-(2,4,6-trimethylphenyl)-1,3-thiazol-5-yl]-N-methylethanamine?
The canonical SMILES for 2-[4-bromo-2-(2,4,6-trimethylphenyl)-1,3-thiazol-5-yl]-N-methylethanamine is CNCCc1sc(-c2c(C)cc(C)cc2C)nc1Br.
What is the InChIKey of 2-[4-bromo-2-(2,4,6-trimethylphenyl)-1,3-thiazol-5-yl]-N-methylethanamine?
The InChIKey is QXPADQCBEKBUQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2S/c1-9-7-10(2)13(11(3)8-9)15-18-14(16)12(19-15)5-6-17-4/h7-8,17H,5-6H2,1-4H3.
What are the key properties of 2-[4-bromo-2-(2,4,6-trimethylphenyl)-1,3-thiazol-5-yl]-N-methylethanamine?
2-[4-bromo-2-(2,4,6-trimethylphenyl)-1,3-thiazol-5-yl]-N-methylethanamine has a molecular weight of 339.30 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-bromo-2-(2,4,6-trimethylphenyl)-1,3-thiazol-5-yl]-N-methylethanamine is sourced from PubChem (CID 84612057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).