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

C12H11BrClNOS — CID 107947699

IUPAC1-(3-bromo-5-chlorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanol
SMILESCc1csc(CC(O)c2cc(Cl)cc(Br)c2)n1
InChIInChI=1S/C12H11BrClNOS/c1-7-6-17-12(15-7)5-11(16)8-2-9(13)4-10(14)3-8/h2-4,6,11,16H,5H2,1H3
InChIKeyAIZXYDOQUDRBML-UHFFFAOYSA-N
MW332.65 g/mol
LogP4.14
Rot. Bonds3

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

1-(3-bromo-5-chlorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanol (PubChem CID 107947699) has the molecular formula C12H11BrClNOS and a molecular weight of 332.65 g/mol. Its IUPAC name is 1-(3-bromo-5-chlorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanol.

Molecular Properties

Compound Name1-(3-bromo-5-chlorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanol
PubChem CID107947699
Molecular FormulaC12H11BrClNOS
Molecular Weight332.65 g/mol
Exact Mass330.94
IUPAC Name1-(3-bromo-5-chlorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanol
SMILESCc1csc(CC(O)c2cc(Cl)cc(Br)c2)n1
InChIInChI=1S/C12H11BrClNOS/c1-7-6-17-12(15-7)5-11(16)8-2-9(13)4-10(14)3-8/h2-4,6,11,16H,5H2,1H3
InChIKeyAIZXYDOQUDRBML-UHFFFAOYSA-N
XLogP4.14
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.65
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(3,5-dibromophenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]hydrazine
CID 107979313
2-(4-methyl-1,3-thiazol-2-yl)-1-pyrimidin-5-ylethanol
CID 62796863
1-(5-bromo-4-methylthiophen-2-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanol
CID 115824159
1-(3-bromo-5-chlorophenyl)-2-(5-methyl-2-pyridinyl)ethanol
CID 107957878
1-(3-bromo-5-chlorophenyl)-2-(3-methyl-2-pyridinyl)ethanol
CID 114020682
1-(3-bromo-5-fluorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-ol
CID 79702691
3-bromo-5-chloro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 113286157
[1-(3-chlorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]hydrazine
CID 105194644
1-(3-bromo-2-methylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanol
CID 115824178
1-(3-bromofuran-2-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanol
CID 63941255
1-(3-bromo-5-chlorophenyl)-2-methoxyethanol
CID 107947641
1-(2-bromo-4-chlorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 114025336

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-chlorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanol?
The IUPAC name of 1-(3-bromo-5-chlorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanol (CID 107947699) is 1-(3-bromo-5-chlorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanol.
What is the SMILES notation for 1-(3-bromo-5-chlorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanol?
The canonical SMILES for 1-(3-bromo-5-chlorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanol is Cc1csc(CC(O)c2cc(Cl)cc(Br)c2)n1.
What is the InChIKey of 1-(3-bromo-5-chlorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanol?
The InChIKey is AIZXYDOQUDRBML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrClNOS/c1-7-6-17-12(15-7)5-11(16)8-2-9(13)4-10(14)3-8/h2-4,6,11,16H,5H2,1H3.
What are the key properties of 1-(3-bromo-5-chlorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanol?
1-(3-bromo-5-chlorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanol has a molecular weight of 332.65 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-chlorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanol is sourced from PubChem (CID 107947699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).