1-(5-bromo-1,3-thiazol-2-yl)-1-cyclohexyl-2-fluoroethanol

C11H15BrFNOS — CID 71023435

IUPAC1-(5-bromo-1,3-thiazol-2-yl)-1-cyclohexyl-2-fluoroethanol
SMILESOC(CF)(c1ncc(Br)s1)C1CCCCC1
InChIInChI=1S/C11H15BrFNOS/c12-9-6-14-10(16-9)11(15,7-13)8-4-2-1-3-5-8/h6,8,15H,1-5,7H2
InChIKeyGCMRUVCGMDPPDM-UHFFFAOYSA-N
MW308.22 g/mol
LogP3.64
Rot. Bonds3

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

1-(5-bromo-1,3-thiazol-2-yl)-1-cyclohexyl-2-fluoroethanol (PubChem CID 71023435) has the molecular formula C11H15BrFNOS and a molecular weight of 308.22 g/mol. Its IUPAC name is 1-(5-bromo-1,3-thiazol-2-yl)-1-cyclohexyl-2-fluoroethanol.

Molecular Properties

Compound Name1-(5-bromo-1,3-thiazol-2-yl)-1-cyclohexyl-2-fluoroethanol
PubChem CID71023435
Molecular FormulaC11H15BrFNOS
Molecular Weight308.22 g/mol
Exact Mass307.00
IUPAC Name1-(5-bromo-1,3-thiazol-2-yl)-1-cyclohexyl-2-fluoroethanol
SMILESOC(CF)(c1ncc(Br)s1)C1CCCCC1
InChIInChI=1S/C11H15BrFNOS/c12-9-6-14-10(16-9)11(15,7-13)8-4-2-1-3-5-8/h6,8,15H,1-5,7H2
InChIKeyGCMRUVCGMDPPDM-UHFFFAOYSA-N
XLogP3.64
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.22
LogP ≤ 53.64
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-cyclohexyl-2-fluoroethanol?
The IUPAC name of 1-(5-bromo-1,3-thiazol-2-yl)-1-cyclohexyl-2-fluoroethanol (CID 71023435) is 1-(5-bromo-1,3-thiazol-2-yl)-1-cyclohexyl-2-fluoroethanol.
What is the SMILES notation for 1-(5-bromo-1,3-thiazol-2-yl)-1-cyclohexyl-2-fluoroethanol?
The canonical SMILES for 1-(5-bromo-1,3-thiazol-2-yl)-1-cyclohexyl-2-fluoroethanol is OC(CF)(c1ncc(Br)s1)C1CCCCC1.
What is the InChIKey of 1-(5-bromo-1,3-thiazol-2-yl)-1-cyclohexyl-2-fluoroethanol?
The InChIKey is GCMRUVCGMDPPDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrFNOS/c12-9-6-14-10(16-9)11(15,7-13)8-4-2-1-3-5-8/h6,8,15H,1-5,7H2.
What are the key properties of 1-(5-bromo-1,3-thiazol-2-yl)-1-cyclohexyl-2-fluoroethanol?
1-(5-bromo-1,3-thiazol-2-yl)-1-cyclohexyl-2-fluoroethanol has a molecular weight of 308.22 g/mol, XLogP of 3.64, 3 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-cyclohexyl-2-fluoroethanol is sourced from PubChem (CID 71023435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).