2-[cyclohexyl(methoxy)methyl]-1,3-thiazol-4-ol

C11H17NO2S — CID 130501377

IUPAC2-[cyclohexyl(methoxy)methyl]-1,3-thiazol-4-ol
SMILESCOC(c1nc(O)cs1)C1CCCCC1
InChIInChI=1S/C11H17NO2S/c1-14-10(8-5-3-2-4-6-8)11-12-9(13)7-15-11/h7-8,10,13H,2-6H2,1H3
InChIKeyDFQYNSCIJGBKTJ-UHFFFAOYSA-N
MW227.33 g/mol
LogP3.12
Rot. Bonds3

About 2-[cyclohexyl(methoxy)methyl]-1,3-thiazol-4-ol

2-[cyclohexyl(methoxy)methyl]-1,3-thiazol-4-ol (PubChem CID 130501377) has the molecular formula C11H17NO2S and a molecular weight of 227.33 g/mol. Its IUPAC name is 2-[cyclohexyl(methoxy)methyl]-1,3-thiazol-4-ol.

Molecular Properties

Compound Name2-[cyclohexyl(methoxy)methyl]-1,3-thiazol-4-ol
PubChem CID130501377
Molecular FormulaC11H17NO2S
Molecular Weight227.33 g/mol
Exact Mass227.10
IUPAC Name2-[cyclohexyl(methoxy)methyl]-1,3-thiazol-4-ol
SMILESCOC(c1nc(O)cs1)C1CCCCC1
InChIInChI=1S/C11H17NO2S/c1-14-10(8-5-3-2-4-6-8)11-12-9(13)7-15-11/h7-8,10,13H,2-6H2,1H3
InChIKeyDFQYNSCIJGBKTJ-UHFFFAOYSA-N
XLogP3.12
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexyl(methoxy)methyl]-1,3-thiazol-4-ol?
The IUPAC name of 2-[cyclohexyl(methoxy)methyl]-1,3-thiazol-4-ol (CID 130501377) is 2-[cyclohexyl(methoxy)methyl]-1,3-thiazol-4-ol.
What is the SMILES notation for 2-[cyclohexyl(methoxy)methyl]-1,3-thiazol-4-ol?
The canonical SMILES for 2-[cyclohexyl(methoxy)methyl]-1,3-thiazol-4-ol is COC(c1nc(O)cs1)C1CCCCC1.
What is the InChIKey of 2-[cyclohexyl(methoxy)methyl]-1,3-thiazol-4-ol?
The InChIKey is DFQYNSCIJGBKTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2S/c1-14-10(8-5-3-2-4-6-8)11-12-9(13)7-15-11/h7-8,10,13H,2-6H2,1H3.
What are the key properties of 2-[cyclohexyl(methoxy)methyl]-1,3-thiazol-4-ol?
2-[cyclohexyl(methoxy)methyl]-1,3-thiazol-4-ol has a molecular weight of 227.33 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexyl(methoxy)methyl]-1,3-thiazol-4-ol is sourced from PubChem (CID 130501377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).