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

C13H20BrNOS — CID 129231875

IUPAC1-(5-bromo-1,3-thiazol-2-yl)-1-cyclohexyl-2-methylpropan-1-ol
SMILESCC(C)C(O)(c1ncc(Br)s1)C1CCCCC1
InChIInChI=1S/C13H20BrNOS/c1-9(2)13(16,10-6-4-3-5-7-10)12-15-8-11(14)17-12/h8-10,16H,3-7H2,1-2H3
InChIKeyCUTVQONLBOULBC-UHFFFAOYSA-N
MW318.28 g/mol
LogP4.33
Rot. Bonds3

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

1-(5-bromo-1,3-thiazol-2-yl)-1-cyclohexyl-2-methylpropan-1-ol (PubChem CID 129231875) has the molecular formula C13H20BrNOS and a molecular weight of 318.28 g/mol. Its IUPAC name is 1-(5-bromo-1,3-thiazol-2-yl)-1-cyclohexyl-2-methylpropan-1-ol.

Molecular Properties

Compound Name1-(5-bromo-1,3-thiazol-2-yl)-1-cyclohexyl-2-methylpropan-1-ol
PubChem CID129231875
Molecular FormulaC13H20BrNOS
Molecular Weight318.28 g/mol
Exact Mass317.04
IUPAC Name1-(5-bromo-1,3-thiazol-2-yl)-1-cyclohexyl-2-methylpropan-1-ol
SMILESCC(C)C(O)(c1ncc(Br)s1)C1CCCCC1
InChIInChI=1S/C13H20BrNOS/c1-9(2)13(16,10-6-4-3-5-7-10)12-15-8-11(14)17-12/h8-10,16H,3-7H2,1-2H3
InChIKeyCUTVQONLBOULBC-UHFFFAOYSA-N
XLogP4.33
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.28
LogP ≤ 54.33
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-methylpropan-1-ol?
The IUPAC name of 1-(5-bromo-1,3-thiazol-2-yl)-1-cyclohexyl-2-methylpropan-1-ol (CID 129231875) is 1-(5-bromo-1,3-thiazol-2-yl)-1-cyclohexyl-2-methylpropan-1-ol.
What is the SMILES notation for 1-(5-bromo-1,3-thiazol-2-yl)-1-cyclohexyl-2-methylpropan-1-ol?
The canonical SMILES for 1-(5-bromo-1,3-thiazol-2-yl)-1-cyclohexyl-2-methylpropan-1-ol is CC(C)C(O)(c1ncc(Br)s1)C1CCCCC1.
What is the InChIKey of 1-(5-bromo-1,3-thiazol-2-yl)-1-cyclohexyl-2-methylpropan-1-ol?
The InChIKey is CUTVQONLBOULBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrNOS/c1-9(2)13(16,10-6-4-3-5-7-10)12-15-8-11(14)17-12/h8-10,16H,3-7H2,1-2H3.
What are the key properties of 1-(5-bromo-1,3-thiazol-2-yl)-1-cyclohexyl-2-methylpropan-1-ol?
1-(5-bromo-1,3-thiazol-2-yl)-1-cyclohexyl-2-methylpropan-1-ol has a molecular weight of 318.28 g/mol, XLogP of 4.33, 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-methylpropan-1-ol is sourced from PubChem (CID 129231875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).