1-(5-bromo-1,3-thiazol-2-yl)-2,6-dimethylcyclohexan-1-ol

C11H16BrNOS — CID 174679161

IUPAC1-(5-bromo-1,3-thiazol-2-yl)-2,6-dimethylcyclohexan-1-ol
SMILESCC1CCCC(C)C1(O)c1ncc(Br)s1
InChIInChI=1S/C11H16BrNOS/c1-7-4-3-5-8(2)11(7,14)10-13-6-9(12)15-10/h6-8,14H,3-5H2,1-2H3
InChIKeyPWBXDVPJYANGIN-UHFFFAOYSA-N
MW290.23 g/mol
LogP3.55
Rot. Bonds1

About 1-(5-bromo-1,3-thiazol-2-yl)-2,6-dimethylcyclohexan-1-ol

1-(5-bromo-1,3-thiazol-2-yl)-2,6-dimethylcyclohexan-1-ol (PubChem CID 174679161) 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)-2,6-dimethylcyclohexan-1-ol.

Molecular Properties

Compound Name1-(5-bromo-1,3-thiazol-2-yl)-2,6-dimethylcyclohexan-1-ol
PubChem CID174679161
Molecular FormulaC11H16BrNOS
Molecular Weight290.23 g/mol
Exact Mass289.01
IUPAC Name1-(5-bromo-1,3-thiazol-2-yl)-2,6-dimethylcyclohexan-1-ol
SMILESCC1CCCC(C)C1(O)c1ncc(Br)s1
InChIInChI=1S/C11H16BrNOS/c1-7-4-3-5-8(2)11(7,14)10-13-6-9(12)15-10/h6-8,14H,3-5H2,1-2H3
InChIKeyPWBXDVPJYANGIN-UHFFFAOYSA-N
XLogP3.55
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.23
LogP ≤ 53.55
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)-2,6-dimethylcyclohexan-1-ol?
The IUPAC name of 1-(5-bromo-1,3-thiazol-2-yl)-2,6-dimethylcyclohexan-1-ol (CID 174679161) is 1-(5-bromo-1,3-thiazol-2-yl)-2,6-dimethylcyclohexan-1-ol.
What is the SMILES notation for 1-(5-bromo-1,3-thiazol-2-yl)-2,6-dimethylcyclohexan-1-ol?
The canonical SMILES for 1-(5-bromo-1,3-thiazol-2-yl)-2,6-dimethylcyclohexan-1-ol is CC1CCCC(C)C1(O)c1ncc(Br)s1.
What is the InChIKey of 1-(5-bromo-1,3-thiazol-2-yl)-2,6-dimethylcyclohexan-1-ol?
The InChIKey is PWBXDVPJYANGIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNOS/c1-7-4-3-5-8(2)11(7,14)10-13-6-9(12)15-10/h6-8,14H,3-5H2,1-2H3.
What are the key properties of 1-(5-bromo-1,3-thiazol-2-yl)-2,6-dimethylcyclohexan-1-ol?
1-(5-bromo-1,3-thiazol-2-yl)-2,6-dimethylcyclohexan-1-ol has a molecular weight of 290.23 g/mol, XLogP of 3.55, 1 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)-2,6-dimethylcyclohexan-1-ol is sourced from PubChem (CID 174679161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).