1-(5-bromo-1,3-thiazol-2-yl)-1-cyclohexylethanol

C11H16BrNOS — CID 129231863

IUPAC1-(5-bromo-1,3-thiazol-2-yl)-1-cyclohexylethanol
SMILESCC(O)(c1ncc(Br)s1)C1CCCCC1
InChIInChI=1S/C11H16BrNOS/c1-11(14,8-5-3-2-4-6-8)10-13-7-9(12)15-10/h7-8,14H,2-6H2,1H3
InChIKeyAICJRRAJOZXJSL-UHFFFAOYSA-N
MW290.23 g/mol
LogP3.69
Rot. Bonds2

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

1-(5-bromo-1,3-thiazol-2-yl)-1-cyclohexylethanol (PubChem CID 129231863) has the molecular formula C11H16BrNOS and a molecular weight of 290.23 g/mol. Its IUPAC name is 1-(5-bromo-1,3-thiazol-2-yl)-1-cyclohexylethanol.

Molecular Properties

Compound Name1-(5-bromo-1,3-thiazol-2-yl)-1-cyclohexylethanol
PubChem CID129231863
Molecular FormulaC11H16BrNOS
Molecular Weight290.23 g/mol
Exact Mass289.01
IUPAC Name1-(5-bromo-1,3-thiazol-2-yl)-1-cyclohexylethanol
SMILESCC(O)(c1ncc(Br)s1)C1CCCCC1
InChIInChI=1S/C11H16BrNOS/c1-11(14,8-5-3-2-4-6-8)10-13-7-9(12)15-10/h7-8,14H,2-6H2,1H3
InChIKeyAICJRRAJOZXJSL-UHFFFAOYSA-N
XLogP3.69
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.23
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-1,3-thiazol-2-yl)-1-cyclohexylethanol?
The IUPAC name of 1-(5-bromo-1,3-thiazol-2-yl)-1-cyclohexylethanol (CID 129231863) is 1-(5-bromo-1,3-thiazol-2-yl)-1-cyclohexylethanol.
What is the SMILES notation for 1-(5-bromo-1,3-thiazol-2-yl)-1-cyclohexylethanol?
The canonical SMILES for 1-(5-bromo-1,3-thiazol-2-yl)-1-cyclohexylethanol is CC(O)(c1ncc(Br)s1)C1CCCCC1.
What is the InChIKey of 1-(5-bromo-1,3-thiazol-2-yl)-1-cyclohexylethanol?
The InChIKey is AICJRRAJOZXJSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNOS/c1-11(14,8-5-3-2-4-6-8)10-13-7-9(12)15-10/h7-8,14H,2-6H2,1H3.
What are the key properties of 1-(5-bromo-1,3-thiazol-2-yl)-1-cyclohexylethanol?
1-(5-bromo-1,3-thiazol-2-yl)-1-cyclohexylethanol has a molecular weight of 290.23 g/mol, XLogP of 3.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-1,3-thiazol-2-yl)-1-cyclohexylethanol is sourced from PubChem (CID 129231863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).