1-(4-bromo-2-methoxyphenyl)-2-(4-tert-butyl-1,3-thiazol-2-yl)ethanamine

C16H21BrN2OS — CID 105016098

IUPAC1-(4-bromo-2-methoxyphenyl)-2-(4-tert-butyl-1,3-thiazol-2-yl)ethanamine
SMILESCOc1cc(Br)ccc1C(N)Cc1nc(C(C)(C)C)cs1
InChIInChI=1S/C16H21BrN2OS/c1-16(2,3)14-9-21-15(19-14)8-12(18)11-6-5-10(17)7-13(11)20-4/h5-7,9,12H,8,18H2,1-4H3
InChIKeyZUKPNDUQGNBXCJ-UHFFFAOYSA-N
MW369.33 g/mol
LogP4.45
Rot. Bonds4

About 1-(4-bromo-2-methoxyphenyl)-2-(4-tert-butyl-1,3-thiazol-2-yl)ethanamine

1-(4-bromo-2-methoxyphenyl)-2-(4-tert-butyl-1,3-thiazol-2-yl)ethanamine (PubChem CID 105016098) has the molecular formula C16H21BrN2OS and a molecular weight of 369.33 g/mol. Its IUPAC name is 1-(4-bromo-2-methoxyphenyl)-2-(4-tert-butyl-1,3-thiazol-2-yl)ethanamine.

Molecular Properties

Compound Name1-(4-bromo-2-methoxyphenyl)-2-(4-tert-butyl-1,3-thiazol-2-yl)ethanamine
PubChem CID105016098
Molecular FormulaC16H21BrN2OS
Molecular Weight369.33 g/mol
Exact Mass368.06
IUPAC Name1-(4-bromo-2-methoxyphenyl)-2-(4-tert-butyl-1,3-thiazol-2-yl)ethanamine
SMILESCOc1cc(Br)ccc1C(N)Cc1nc(C(C)(C)C)cs1
InChIInChI=1S/C16H21BrN2OS/c1-16(2,3)14-9-21-15(19-14)8-12(18)11-6-5-10(17)7-13(11)20-4/h5-7,9,12H,8,18H2,1-4H3
InChIKeyZUKPNDUQGNBXCJ-UHFFFAOYSA-N
XLogP4.45
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.33
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(3-methoxy-4-pyridinyl)ethanamine
CID 105065878
1-(2-bromo-3,4-difluorophenyl)-2-(4-tert-butyl-1,3-thiazol-2-yl)ethanamine
CID 107538587
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(4-methoxyphenyl)ethanamine
CID 79819506
1-(2-bromofuran-3-yl)-2-(4-tert-butyl-1,3-thiazol-2-yl)ethanamine
CID 106858230
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(2,4-dibromophenyl)-N-methylethanamine
CID 107946408
1-(4-bromo-2-methoxyphenyl)-2-(5-bromo-2-methoxyphenyl)ethanamine
CID 115817615
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(4-methoxythiophen-2-yl)ethanamine
CID 105016072
4-bromo-2-[2-(4-tert-butyl-1,3-thiazol-2-yl)-1-hydrazinylethyl]aniline
CID 105263391
(1S)-1-(4-bromo-2-methoxyphenyl)-2-fluoroethanamine
CID 131036792
1-(5-bromo-2-fluorophenyl)-2-(4-tert-butyl-1,3-thiazol-2-yl)ethanol
CID 79819776
(2S)-2-amino-2-(4-bromo-2-methoxyphenyl)ethanol
CID 66515456
(2R)-2-amino-2-(4-bromo-2-methoxyphenyl)ethanol
CID 66515457

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-methoxyphenyl)-2-(4-tert-butyl-1,3-thiazol-2-yl)ethanamine?
The IUPAC name of 1-(4-bromo-2-methoxyphenyl)-2-(4-tert-butyl-1,3-thiazol-2-yl)ethanamine (CID 105016098) is 1-(4-bromo-2-methoxyphenyl)-2-(4-tert-butyl-1,3-thiazol-2-yl)ethanamine.
What is the SMILES notation for 1-(4-bromo-2-methoxyphenyl)-2-(4-tert-butyl-1,3-thiazol-2-yl)ethanamine?
The canonical SMILES for 1-(4-bromo-2-methoxyphenyl)-2-(4-tert-butyl-1,3-thiazol-2-yl)ethanamine is COc1cc(Br)ccc1C(N)Cc1nc(C(C)(C)C)cs1.
What is the InChIKey of 1-(4-bromo-2-methoxyphenyl)-2-(4-tert-butyl-1,3-thiazol-2-yl)ethanamine?
The InChIKey is ZUKPNDUQGNBXCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrN2OS/c1-16(2,3)14-9-21-15(19-14)8-12(18)11-6-5-10(17)7-13(11)20-4/h5-7,9,12H,8,18H2,1-4H3.
What are the key properties of 1-(4-bromo-2-methoxyphenyl)-2-(4-tert-butyl-1,3-thiazol-2-yl)ethanamine?
1-(4-bromo-2-methoxyphenyl)-2-(4-tert-butyl-1,3-thiazol-2-yl)ethanamine has a molecular weight of 369.33 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-methoxyphenyl)-2-(4-tert-butyl-1,3-thiazol-2-yl)ethanamine is sourced from PubChem (CID 105016098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).