1-(4-bromo-1,3-thiazol-2-yl)-2-cyclohexylethanol

C11H16BrNOS — CID 114684388

IUPAC1-(4-bromo-1,3-thiazol-2-yl)-2-cyclohexylethanol
SMILESOC(CC1CCCCC1)c1nc(Br)cs1
InChIInChI=1S/C11H16BrNOS/c12-10-7-15-11(13-10)9(14)6-8-4-2-1-3-5-8/h7-9,14H,1-6H2
InChIKeyBJHHNXPVNZDZQK-UHFFFAOYSA-N
MW290.23 g/mol
LogP3.91
Rot. Bonds3

About 1-(4-bromo-1,3-thiazol-2-yl)-2-cyclohexylethanol

1-(4-bromo-1,3-thiazol-2-yl)-2-cyclohexylethanol (PubChem CID 114684388) has the molecular formula C11H16BrNOS and a molecular weight of 290.23 g/mol. Its IUPAC name is 1-(4-bromo-1,3-thiazol-2-yl)-2-cyclohexylethanol.

Molecular Properties

Compound Name1-(4-bromo-1,3-thiazol-2-yl)-2-cyclohexylethanol
PubChem CID114684388
Molecular FormulaC11H16BrNOS
Molecular Weight290.23 g/mol
Exact Mass289.01
IUPAC Name1-(4-bromo-1,3-thiazol-2-yl)-2-cyclohexylethanol
SMILESOC(CC1CCCCC1)c1nc(Br)cs1
InChIInChI=1S/C11H16BrNOS/c12-10-7-15-11(13-10)9(14)6-8-4-2-1-3-5-8/h7-9,14H,1-6H2
InChIKeyBJHHNXPVNZDZQK-UHFFFAOYSA-N
XLogP3.91
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.23
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-1,3-thiazol-2-yl)-2-cyclohexylethanol?
The IUPAC name of 1-(4-bromo-1,3-thiazol-2-yl)-2-cyclohexylethanol (CID 114684388) is 1-(4-bromo-1,3-thiazol-2-yl)-2-cyclohexylethanol.
What is the SMILES notation for 1-(4-bromo-1,3-thiazol-2-yl)-2-cyclohexylethanol?
The canonical SMILES for 1-(4-bromo-1,3-thiazol-2-yl)-2-cyclohexylethanol is OC(CC1CCCCC1)c1nc(Br)cs1.
What is the InChIKey of 1-(4-bromo-1,3-thiazol-2-yl)-2-cyclohexylethanol?
The InChIKey is BJHHNXPVNZDZQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNOS/c12-10-7-15-11(13-10)9(14)6-8-4-2-1-3-5-8/h7-9,14H,1-6H2.
What are the key properties of 1-(4-bromo-1,3-thiazol-2-yl)-2-cyclohexylethanol?
1-(4-bromo-1,3-thiazol-2-yl)-2-cyclohexylethanol has a molecular weight of 290.23 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-1,3-thiazol-2-yl)-2-cyclohexylethanol is sourced from PubChem (CID 114684388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).