2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(2,4-dibromophenyl)-N-methylethanamine

C16H20Br2N2S — CID 107946408

IUPAC2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(2,4-dibromophenyl)-N-methylethanamine
SMILESCNC(Cc1nc(C(C)(C)C)cs1)c1ccc(Br)cc1Br
InChIInChI=1S/C16H20Br2N2S/c1-16(2,3)14-9-21-15(20-14)8-13(19-4)11-6-5-10(17)7-12(11)18/h5-7,9,13,19H,8H2,1-4H3
InChIKeyQAIWHEORXOUZRS-UHFFFAOYSA-N
MW432.23 g/mol
LogP5.47
Rot. Bonds4

About 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(2,4-dibromophenyl)-N-methylethanamine

2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(2,4-dibromophenyl)-N-methylethanamine (PubChem CID 107946408) has the molecular formula C16H20Br2N2S and a molecular weight of 432.23 g/mol. Its IUPAC name is 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(2,4-dibromophenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(2,4-dibromophenyl)-N-methylethanamine
PubChem CID107946408
Molecular FormulaC16H20Br2N2S
Molecular Weight432.23 g/mol
Exact Mass429.97
IUPAC Name2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(2,4-dibromophenyl)-N-methylethanamine
SMILESCNC(Cc1nc(C(C)(C)C)cs1)c1ccc(Br)cc1Br
InChIInChI=1S/C16H20Br2N2S/c1-16(2,3)14-9-21-15(20-14)8-13(19-4)11-6-5-10(17)7-12(11)18/h5-7,9,13,19H,8H2,1-4H3
InChIKeyQAIWHEORXOUZRS-UHFFFAOYSA-N
XLogP5.47
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.23
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-2-[2-(4-tert-butyl-1,3-thiazol-2-yl)-1-hydrazinylethyl]aniline
CID 105263391
2-(4-tert-butyl-1,3-thiazol-2-yl)-N-methyl-1-(2-methylphenyl)ethanamine
CID 79820357
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(2-iodophenyl)-N-methylethanamine
CID 105015883
2-(4-bromothiophen-2-yl)-1-(2,4-dibromophenyl)-N-methylethanamine
CID 114019256
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(2-chloro-3-methylphenyl)-N-methylethanamine
CID 105015930
1-(4-bromo-2-methoxyphenyl)-2-(4-tert-butyl-1,3-thiazol-2-yl)ethanamine
CID 105016098
[2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(3,5-dibromophenyl)ethyl]hydrazine
CID 107979295
1-(5-bromo-2-fluorophenyl)-2-(4-tert-butyl-1,3-thiazol-2-yl)ethanol
CID 79819776
1-(2,4-dibromophenyl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine
CID 114019360
2-(4-tert-butyl-1,3-thiazol-2-yl)-N-methyl-1-(5-methyl-3-pyridinyl)ethanamine
CID 105169633
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(5-ethylfuran-2-yl)-N-methylethanamine
CID 105016055
2-(4-bromophenyl)-1-(4-tert-butyl-1,3-thiazol-2-yl)propan-2-ol
CID 79819846

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(2,4-dibromophenyl)-N-methylethanamine?
The IUPAC name of 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(2,4-dibromophenyl)-N-methylethanamine (CID 107946408) is 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(2,4-dibromophenyl)-N-methylethanamine.
What is the SMILES notation for 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(2,4-dibromophenyl)-N-methylethanamine?
The canonical SMILES for 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(2,4-dibromophenyl)-N-methylethanamine is CNC(Cc1nc(C(C)(C)C)cs1)c1ccc(Br)cc1Br.
What is the InChIKey of 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(2,4-dibromophenyl)-N-methylethanamine?
The InChIKey is QAIWHEORXOUZRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20Br2N2S/c1-16(2,3)14-9-21-15(20-14)8-13(19-4)11-6-5-10(17)7-12(11)18/h5-7,9,13,19H,8H2,1-4H3.
What are the key properties of 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(2,4-dibromophenyl)-N-methylethanamine?
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(2,4-dibromophenyl)-N-methylethanamine has a molecular weight of 432.23 g/mol, XLogP of 5.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(2,4-dibromophenyl)-N-methylethanamine is sourced from PubChem (CID 107946408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).