1-(5-bromo-4-methylthiophen-2-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanol

C11H12BrNOS2 — CID 115824159

IUPAC1-(5-bromo-4-methylthiophen-2-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanol
SMILESCc1csc(CC(O)c2cc(C)c(Br)s2)n1
InChIInChI=1S/C11H12BrNOS2/c1-6-3-9(16-11(6)12)8(14)4-10-13-7(2)5-15-10/h3,5,8,14H,4H2,1-2H3
InChIKeyIXMOOHUWCSTJNP-UHFFFAOYSA-N
MW318.26 g/mol
LogP3.86
Rot. Bonds3

About 1-(5-bromo-4-methylthiophen-2-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanol

1-(5-bromo-4-methylthiophen-2-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanol (PubChem CID 115824159) has the molecular formula C11H12BrNOS2 and a molecular weight of 318.26 g/mol. Its IUPAC name is 1-(5-bromo-4-methylthiophen-2-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanol.

Molecular Properties

Compound Name1-(5-bromo-4-methylthiophen-2-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanol
PubChem CID115824159
Molecular FormulaC11H12BrNOS2
Molecular Weight318.26 g/mol
Exact Mass316.95
IUPAC Name1-(5-bromo-4-methylthiophen-2-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanol
SMILESCc1csc(CC(O)c2cc(C)c(Br)s2)n1
InChIInChI=1S/C11H12BrNOS2/c1-6-3-9(16-11(6)12)8(14)4-10-13-7(2)5-15-10/h3,5,8,14H,4H2,1-2H3
InChIKeyIXMOOHUWCSTJNP-UHFFFAOYSA-N
XLogP3.86
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.26
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-bromo-4-methylthiophen-2-yl)-2-(1,3-thiazol-2-yl)ethanol
CID 115822500
2-(4-methyl-1,3-thiazol-2-yl)-1-(thiadiazol-5-yl)ethanol
CID 105117676
1-(3-bromo-5-chlorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanol
CID 107947699
1-(3-bromo-2-methylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanol
CID 115824178
1-(5-bromo-4-methylthiophen-2-yl)-2-(1-methylpyrazol-3-yl)ethanol
CID 115828712
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-pyrimidin-5-ylethanol
CID 62796863
1-(2,3-dimethylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanol
CID 62797386
1-(4-methyl-1,3-thiazol-2-yl)butane-2,3-diol
CID 103452784
(5-bromo-4-methylthiophen-2-yl)-(5-bromothiophen-3-yl)methanol
CID 107964321
1-(2-methoxy-4,6-dimethylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanol
CID 106680177
1-(5-bromo-4-methylthiophen-2-yl)-2-(3-fluorophenyl)ethanol
CID 79996332

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-4-methylthiophen-2-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanol?
The IUPAC name of 1-(5-bromo-4-methylthiophen-2-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanol (CID 115824159) is 1-(5-bromo-4-methylthiophen-2-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanol.
What is the SMILES notation for 1-(5-bromo-4-methylthiophen-2-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanol?
The canonical SMILES for 1-(5-bromo-4-methylthiophen-2-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanol is Cc1csc(CC(O)c2cc(C)c(Br)s2)n1.
What is the InChIKey of 1-(5-bromo-4-methylthiophen-2-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanol?
The InChIKey is IXMOOHUWCSTJNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrNOS2/c1-6-3-9(16-11(6)12)8(14)4-10-13-7(2)5-15-10/h3,5,8,14H,4H2,1-2H3.
What are the key properties of 1-(5-bromo-4-methylthiophen-2-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanol?
1-(5-bromo-4-methylthiophen-2-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanol has a molecular weight of 318.26 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-4-methylthiophen-2-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanol is sourced from PubChem (CID 115824159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).