1-(2-bromo-3-methylphenyl)-2-(1,3-thiazol-5-yl)ethanol

C12H12BrNOS — CID 107985817

IUPAC1-(2-bromo-3-methylphenyl)-2-(1,3-thiazol-5-yl)ethanol
SMILESCc1cccc(C(O)Cc2cncs2)c1Br
InChIInChI=1S/C12H12BrNOS/c1-8-3-2-4-10(12(8)13)11(15)5-9-6-14-7-16-9/h2-4,6-7,11,15H,5H2,1H3
InChIKeyOOUWTZXNIULDHL-UHFFFAOYSA-N
MW298.21 g/mol
LogP3.49
Rot. Bonds3

About 1-(2-bromo-3-methylphenyl)-2-(1,3-thiazol-5-yl)ethanol

1-(2-bromo-3-methylphenyl)-2-(1,3-thiazol-5-yl)ethanol (PubChem CID 107985817) has the molecular formula C12H12BrNOS and a molecular weight of 298.21 g/mol. Its IUPAC name is 1-(2-bromo-3-methylphenyl)-2-(1,3-thiazol-5-yl)ethanol.

Molecular Properties

Compound Name1-(2-bromo-3-methylphenyl)-2-(1,3-thiazol-5-yl)ethanol
PubChem CID107985817
Molecular FormulaC12H12BrNOS
Molecular Weight298.21 g/mol
Exact Mass296.98
IUPAC Name1-(2-bromo-3-methylphenyl)-2-(1,3-thiazol-5-yl)ethanol
SMILESCc1cccc(C(O)Cc2cncs2)c1Br
InChIInChI=1S/C12H12BrNOS/c1-8-3-2-4-10(12(8)13)11(15)5-9-6-14-7-16-9/h2-4,6-7,11,15H,5H2,1H3
InChIKeyOOUWTZXNIULDHL-UHFFFAOYSA-N
XLogP3.49
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.21
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-bromo-3-methylphenyl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine
CID 107985345
N-[1-(2-bromo-3-methylphenyl)-2-(1,3-thiazol-5-yl)ethyl]propan-1-amine
CID 107985343
1-(4-methyl-3-pyridinyl)-2-(1,3-thiazol-5-yl)ethanol
CID 112642068
1-(2-chloro-3-fluorophenyl)-2-(1,3-thiazol-5-yl)ethanol
CID 115830518
1-(2,4-dimethylphenyl)-2-(1,3-thiazol-5-yl)ethanol
CID 112641881
1-(2-fluorophenyl)-2-(1,3-thiazol-5-yl)ethanol
CID 112641866
1-(2-methylfuran-3-yl)-2-(1,3-thiazol-5-yl)ethanol
CID 104789529
1-(3-methylphenyl)-2-(1,3-thiazol-5-yl)ethanol
CID 112641878
1-(2-bromo-3-methylphenyl)-2-(5-methyl-2-pyridinyl)ethanol
CID 114024113
1-(2-fluoro-4-methylphenyl)-2-(1,3-thiazol-5-yl)ethanol
CID 115830443
2-(2-methylphenyl)-3-(1,3-thiazol-5-yl)propan-1-amine
CID 112644178
1-pyridin-4-yl-2-(1,3-thiazol-5-yl)ethanol
CID 112641839

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-3-methylphenyl)-2-(1,3-thiazol-5-yl)ethanol?
The IUPAC name of 1-(2-bromo-3-methylphenyl)-2-(1,3-thiazol-5-yl)ethanol (CID 107985817) is 1-(2-bromo-3-methylphenyl)-2-(1,3-thiazol-5-yl)ethanol.
What is the SMILES notation for 1-(2-bromo-3-methylphenyl)-2-(1,3-thiazol-5-yl)ethanol?
The canonical SMILES for 1-(2-bromo-3-methylphenyl)-2-(1,3-thiazol-5-yl)ethanol is Cc1cccc(C(O)Cc2cncs2)c1Br.
What is the InChIKey of 1-(2-bromo-3-methylphenyl)-2-(1,3-thiazol-5-yl)ethanol?
The InChIKey is OOUWTZXNIULDHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrNOS/c1-8-3-2-4-10(12(8)13)11(15)5-9-6-14-7-16-9/h2-4,6-7,11,15H,5H2,1H3.
What are the key properties of 1-(2-bromo-3-methylphenyl)-2-(1,3-thiazol-5-yl)ethanol?
1-(2-bromo-3-methylphenyl)-2-(1,3-thiazol-5-yl)ethanol has a molecular weight of 298.21 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-3-methylphenyl)-2-(1,3-thiazol-5-yl)ethanol is sourced from PubChem (CID 107985817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).