1-(3-bromo-2-methylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanol

C13H14BrNOS — CID 115824178

IUPAC1-(3-bromo-2-methylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanol
SMILESCc1csc(CC(O)c2cccc(Br)c2C)n1
InChIInChI=1S/C13H14BrNOS/c1-8-7-17-13(15-8)6-12(16)10-4-3-5-11(14)9(10)2/h3-5,7,12,16H,6H2,1-2H3
InChIKeySUPJTLOOZBHZAQ-UHFFFAOYSA-N
MW312.23 g/mol
LogP3.80
Rot. Bonds3

About 1-(3-bromo-2-methylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanol

1-(3-bromo-2-methylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanol (PubChem CID 115824178) has the molecular formula C13H14BrNOS and a molecular weight of 312.23 g/mol. Its IUPAC name is 1-(3-bromo-2-methylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanol.

Molecular Properties

Compound Name1-(3-bromo-2-methylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanol
PubChem CID115824178
Molecular FormulaC13H14BrNOS
Molecular Weight312.23 g/mol
Exact Mass311.00
IUPAC Name1-(3-bromo-2-methylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanol
SMILESCc1csc(CC(O)c2cccc(Br)c2C)n1
InChIInChI=1S/C13H14BrNOS/c1-8-7-17-13(15-8)6-12(16)10-4-3-5-11(14)9(10)2/h3-5,7,12,16H,6H2,1-2H3
InChIKeySUPJTLOOZBHZAQ-UHFFFAOYSA-N
XLogP3.80
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.23
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dimethylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanol
CID 62797386
1-(3-bromo-2-methylphenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanol
CID 115826147
1-isoquinolin-8-yl-2-(4-methyl-1,3-thiazol-2-yl)ethanol
CID 103143412
1-(3-bromofuran-2-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanol
CID 63941255
2-(4-methyl-1,3-thiazol-2-yl)-1-(2,3,4-trifluorophenyl)ethanol
CID 55155228
1-(3-bromo-2-fluorophenyl)-N-ethyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 106645514
1-(5-bromo-4-methylthiophen-2-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanol
CID 115824159
1-(2,3-dimethylphenyl)-2-(1,3-thiazol-2-yl)ethanol
CID 79825091
2-(4-methyl-1,3-thiazol-2-yl)-1-pyrimidin-5-ylethanol
CID 62796863
1-(3-bromo-5-chlorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanol
CID 107947699
1-(4-methyl-1,3-thiazol-2-yl)butane-2,3-diol
CID 103452784
2-(4-methyl-1,3-thiazol-2-yl)-1-(thiadiazol-5-yl)ethanol
CID 105117676

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2-methylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanol?
The IUPAC name of 1-(3-bromo-2-methylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanol (CID 115824178) is 1-(3-bromo-2-methylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanol.
What is the SMILES notation for 1-(3-bromo-2-methylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanol?
The canonical SMILES for 1-(3-bromo-2-methylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanol is Cc1csc(CC(O)c2cccc(Br)c2C)n1.
What is the InChIKey of 1-(3-bromo-2-methylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanol?
The InChIKey is SUPJTLOOZBHZAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrNOS/c1-8-7-17-13(15-8)6-12(16)10-4-3-5-11(14)9(10)2/h3-5,7,12,16H,6H2,1-2H3.
What are the key properties of 1-(3-bromo-2-methylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanol?
1-(3-bromo-2-methylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanol has a molecular weight of 312.23 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2-methylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanol is sourced from PubChem (CID 115824178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).