methyl 1-(1,3-thiazol-2-yl)cyclohexane-1-carboxylate

C11H15NO2S — CID 125113185

IUPACmethyl 1-(1,3-thiazol-2-yl)cyclohexane-1-carboxylate
SMILESCOC(=O)C1(c2nccs2)CCCCC1
InChIInChI=1S/C11H15NO2S/c1-14-10(13)11(5-3-2-4-6-11)9-12-7-8-15-9/h7-8H,2-6H2,1H3
InChIKeyVSBPMAYLLQBXLD-UHFFFAOYSA-N
MW225.31 g/mol
LogP2.52
Rot. Bonds2

About methyl 1-(1,3-thiazol-2-yl)cyclohexane-1-carboxylate

methyl 1-(1,3-thiazol-2-yl)cyclohexane-1-carboxylate (PubChem CID 125113185) has the molecular formula C11H15NO2S and a molecular weight of 225.31 g/mol. Its IUPAC name is methyl 1-(1,3-thiazol-2-yl)cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-(1,3-thiazol-2-yl)cyclohexane-1-carboxylate
PubChem CID125113185
Molecular FormulaC11H15NO2S
Molecular Weight225.31 g/mol
Exact Mass225.08
IUPAC Namemethyl 1-(1,3-thiazol-2-yl)cyclohexane-1-carboxylate
SMILESCOC(=O)C1(c2nccs2)CCCCC1
InChIInChI=1S/C11H15NO2S/c1-14-10(13)11(5-3-2-4-6-11)9-12-7-8-15-9/h7-8H,2-6H2,1H3
InChIKeyVSBPMAYLLQBXLD-UHFFFAOYSA-N
XLogP2.52
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(1,3-thiazol-2-yl)cyclohexane-1-carboxylate?
The IUPAC name of methyl 1-(1,3-thiazol-2-yl)cyclohexane-1-carboxylate (CID 125113185) is methyl 1-(1,3-thiazol-2-yl)cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 1-(1,3-thiazol-2-yl)cyclohexane-1-carboxylate?
The canonical SMILES for methyl 1-(1,3-thiazol-2-yl)cyclohexane-1-carboxylate is COC(=O)C1(c2nccs2)CCCCC1.
What is the InChIKey of methyl 1-(1,3-thiazol-2-yl)cyclohexane-1-carboxylate?
The InChIKey is VSBPMAYLLQBXLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2S/c1-14-10(13)11(5-3-2-4-6-11)9-12-7-8-15-9/h7-8H,2-6H2,1H3.
What are the key properties of methyl 1-(1,3-thiazol-2-yl)cyclohexane-1-carboxylate?
methyl 1-(1,3-thiazol-2-yl)cyclohexane-1-carboxylate has a molecular weight of 225.31 g/mol, XLogP of 2.52, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(1,3-thiazol-2-yl)cyclohexane-1-carboxylate is sourced from PubChem (CID 125113185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).