2-(4-bromo-2-methylphenoxy)-4-ethyl-1,3-thiazole

C12H12BrNOS — CID 63214900

IUPAC2-(4-bromo-2-methylphenoxy)-4-ethyl-1,3-thiazole
SMILESCCc1csc(Oc2ccc(Br)cc2C)n1
InChIInChI=1S/C12H12BrNOS/c1-3-10-7-16-12(14-10)15-11-5-4-9(13)6-8(11)2/h4-7H,3H2,1-2H3
InChIKeyZVGCGJVRMLKGRE-UHFFFAOYSA-N
MW298.21 g/mol
LogP4.57
Rot. Bonds3

About 2-(4-bromo-2-methylphenoxy)-4-ethyl-1,3-thiazole

2-(4-bromo-2-methylphenoxy)-4-ethyl-1,3-thiazole (PubChem CID 63214900) has the molecular formula C12H12BrNOS and a molecular weight of 298.21 g/mol. Its IUPAC name is 2-(4-bromo-2-methylphenoxy)-4-ethyl-1,3-thiazole.

Molecular Properties

Compound Name2-(4-bromo-2-methylphenoxy)-4-ethyl-1,3-thiazole
PubChem CID63214900
Molecular FormulaC12H12BrNOS
Molecular Weight298.21 g/mol
Exact Mass296.98
IUPAC Name2-(4-bromo-2-methylphenoxy)-4-ethyl-1,3-thiazole
SMILESCCc1csc(Oc2ccc(Br)cc2C)n1
InChIInChI=1S/C12H12BrNOS/c1-3-10-7-16-12(14-10)15-11-5-4-9(13)6-8(11)2/h4-7H,3H2,1-2H3
InChIKeyZVGCGJVRMLKGRE-UHFFFAOYSA-N
XLogP4.57
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.21
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-ethyl-1,3-thiazol-2-yl)oxy]-3-methylbenzoic acid
CID 107672862
2-[(4-ethyl-1,3-thiazol-2-yl)oxy]-5-methoxybenzoic acid
CID 62961025
4-[(4-bromo-2-methylphenoxy)methyl]-2-propan-2-yl-1,3-thiazole
CID 63530798
[5-bromo-2-(4-bromo-2-methylphenoxy)phenyl]methanamine
CID 114889929
[2-chloro-6-[(4-ethyl-1,3-thiazol-2-yl)oxy]phenyl]methanamine
CID 114323843
4-(4-bromo-2-methylphenoxy)-7-methylthieno[3,2-d]pyrimidine
CID 102686187
4-(4-bromo-2-methylphenoxy)-6-ethylthieno[2,3-d]pyrimidin-2-amine
CID 103332531
N-[[4-[(4-bromo-2-methylphenoxy)methyl]-1,3-thiazol-2-yl]methyl]propan-2-amine
CID 63216732
N-[[6-(4-bromo-2-methylphenoxy)pyrazin-2-yl]methyl]ethanamine
CID 66467274
4-(4-bromo-2-methylphenoxy)-N-ethyl-6-methylpyrimidin-2-amine
CID 80879089
5-bromo-2-(4-bromo-2-methylphenoxy)aniline
CID 63457786
[5-(4-bromo-2-methylphenoxy)-2-pyridinyl]methanamine
CID 113320455

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-methylphenoxy)-4-ethyl-1,3-thiazole?
The IUPAC name of 2-(4-bromo-2-methylphenoxy)-4-ethyl-1,3-thiazole (CID 63214900) is 2-(4-bromo-2-methylphenoxy)-4-ethyl-1,3-thiazole.
What is the SMILES notation for 2-(4-bromo-2-methylphenoxy)-4-ethyl-1,3-thiazole?
The canonical SMILES for 2-(4-bromo-2-methylphenoxy)-4-ethyl-1,3-thiazole is CCc1csc(Oc2ccc(Br)cc2C)n1.
What is the InChIKey of 2-(4-bromo-2-methylphenoxy)-4-ethyl-1,3-thiazole?
The InChIKey is ZVGCGJVRMLKGRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrNOS/c1-3-10-7-16-12(14-10)15-11-5-4-9(13)6-8(11)2/h4-7H,3H2,1-2H3.
What are the key properties of 2-(4-bromo-2-methylphenoxy)-4-ethyl-1,3-thiazole?
2-(4-bromo-2-methylphenoxy)-4-ethyl-1,3-thiazole has a molecular weight of 298.21 g/mol, XLogP of 4.57, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-methylphenoxy)-4-ethyl-1,3-thiazole is sourced from PubChem (CID 63214900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).