[(1R,2S,6R)-1,2-dimethyl-6-(1,3-thiazol-5-ylmethyl)cyclohexyl]methanol

C13H21NOS — CID 162402474

IUPAC[(1R,2S,6R)-1,2-dimethyl-6-(1,3-thiazol-5-ylmethyl)cyclohexyl]methanol
SMILESC[C@H]1CCC[C@H](Cc2cncs2)[C@]1(C)CO
InChIInChI=1S/C13H21NOS/c1-10-4-3-5-11(13(10,2)8-15)6-12-7-14-9-16-12/h7,9-11,15H,3-6,8H2,1-2H3/t10-,11+,13+/m0/s1
InChIKeyUIETVJGGPWUPHW-DMDPSCGWSA-N
MW239.38 g/mol
LogP3.12
Rot. Bonds3

About [(1R,2S,6R)-1,2-dimethyl-6-(1,3-thiazol-5-ylmethyl)cyclohexyl]methanol

[(1R,2S,6R)-1,2-dimethyl-6-(1,3-thiazol-5-ylmethyl)cyclohexyl]methanol (PubChem CID 162402474) has the molecular formula C13H21NOS and a molecular weight of 239.38 g/mol. Its IUPAC name is [(1R,2S,6R)-1,2-dimethyl-6-(1,3-thiazol-5-ylmethyl)cyclohexyl]methanol.

Molecular Properties

Compound Name[(1R,2S,6R)-1,2-dimethyl-6-(1,3-thiazol-5-ylmethyl)cyclohexyl]methanol
PubChem CID162402474
Molecular FormulaC13H21NOS
Molecular Weight239.38 g/mol
Exact Mass239.13
IUPAC Name[(1R,2S,6R)-1,2-dimethyl-6-(1,3-thiazol-5-ylmethyl)cyclohexyl]methanol
SMILESC[C@H]1CCC[C@H](Cc2cncs2)[C@]1(C)CO
InChIInChI=1S/C13H21NOS/c1-10-4-3-5-11(13(10,2)8-15)6-12-7-14-9-16-12/h7,9-11,15H,3-6,8H2,1-2H3/t10-,11+,13+/m0/s1
InChIKeyUIETVJGGPWUPHW-DMDPSCGWSA-N
XLogP3.12
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.38
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(1R,2S,6R)-1,2-dimethyl-6-(1,3-thiazol-5-ylmethyl)cyclohexyl]methanol?
The IUPAC name of [(1R,2S,6R)-1,2-dimethyl-6-(1,3-thiazol-5-ylmethyl)cyclohexyl]methanol (CID 162402474) is [(1R,2S,6R)-1,2-dimethyl-6-(1,3-thiazol-5-ylmethyl)cyclohexyl]methanol.
What is the SMILES notation for [(1R,2S,6R)-1,2-dimethyl-6-(1,3-thiazol-5-ylmethyl)cyclohexyl]methanol?
The canonical SMILES for [(1R,2S,6R)-1,2-dimethyl-6-(1,3-thiazol-5-ylmethyl)cyclohexyl]methanol is C[C@H]1CCC[C@H](Cc2cncs2)[C@]1(C)CO.
What is the InChIKey of [(1R,2S,6R)-1,2-dimethyl-6-(1,3-thiazol-5-ylmethyl)cyclohexyl]methanol?
The InChIKey is UIETVJGGPWUPHW-DMDPSCGWSA-N. The full InChI is InChI=1S/C13H21NOS/c1-10-4-3-5-11(13(10,2)8-15)6-12-7-14-9-16-12/h7,9-11,15H,3-6,8H2,1-2H3/t10-,11+,13+/m0/s1.
What are the key properties of [(1R,2S,6R)-1,2-dimethyl-6-(1,3-thiazol-5-ylmethyl)cyclohexyl]methanol?
[(1R,2S,6R)-1,2-dimethyl-6-(1,3-thiazol-5-ylmethyl)cyclohexyl]methanol has a molecular weight of 239.38 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S,6R)-1,2-dimethyl-6-(1,3-thiazol-5-ylmethyl)cyclohexyl]methanol is sourced from PubChem (CID 162402474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).