methyl 1-(2-methyl-1,3-thiazol-4-yl)cyclopentane-1-carboxylate

C11H15NO2S — CID 71101413

IUPACmethyl 1-(2-methyl-1,3-thiazol-4-yl)cyclopentane-1-carboxylate
SMILESCOC(=O)C1(c2csc(C)n2)CCCC1
InChIInChI=1S/C11H15NO2S/c1-8-12-9(7-15-8)11(10(13)14-2)5-3-4-6-11/h7H,3-6H2,1-2H3
InChIKeyLJXIOYLDQKHWNU-UHFFFAOYSA-N
MW225.31 g/mol
LogP2.44
Rot. Bonds2

About methyl 1-(2-methyl-1,3-thiazol-4-yl)cyclopentane-1-carboxylate

methyl 1-(2-methyl-1,3-thiazol-4-yl)cyclopentane-1-carboxylate (PubChem CID 71101413) has the molecular formula C11H15NO2S and a molecular weight of 225.31 g/mol. Its IUPAC name is methyl 1-(2-methyl-1,3-thiazol-4-yl)cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2-methyl-1,3-thiazol-4-yl)cyclopentane-1-carboxylate
PubChem CID71101413
Molecular FormulaC11H15NO2S
Molecular Weight225.31 g/mol
Exact Mass225.08
IUPAC Namemethyl 1-(2-methyl-1,3-thiazol-4-yl)cyclopentane-1-carboxylate
SMILESCOC(=O)C1(c2csc(C)n2)CCCC1
InChIInChI=1S/C11H15NO2S/c1-8-12-9(7-15-8)11(10(13)14-2)5-3-4-6-11/h7H,3-6H2,1-2H3
InChIKeyLJXIOYLDQKHWNU-UHFFFAOYSA-N
XLogP2.44
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 ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(2-methyl-1,3-thiazol-4-yl)cyclopentane-1-carboxylate?
The IUPAC name of methyl 1-(2-methyl-1,3-thiazol-4-yl)cyclopentane-1-carboxylate (CID 71101413) is methyl 1-(2-methyl-1,3-thiazol-4-yl)cyclopentane-1-carboxylate.
What is the SMILES notation for methyl 1-(2-methyl-1,3-thiazol-4-yl)cyclopentane-1-carboxylate?
The canonical SMILES for methyl 1-(2-methyl-1,3-thiazol-4-yl)cyclopentane-1-carboxylate is COC(=O)C1(c2csc(C)n2)CCCC1.
What is the InChIKey of methyl 1-(2-methyl-1,3-thiazol-4-yl)cyclopentane-1-carboxylate?
The InChIKey is LJXIOYLDQKHWNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2S/c1-8-12-9(7-15-8)11(10(13)14-2)5-3-4-6-11/h7H,3-6H2,1-2H3.
What are the key properties of methyl 1-(2-methyl-1,3-thiazol-4-yl)cyclopentane-1-carboxylate?
methyl 1-(2-methyl-1,3-thiazol-4-yl)cyclopentane-1-carboxylate has a molecular weight of 225.31 g/mol, XLogP of 2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2-methyl-1,3-thiazol-4-yl)cyclopentane-1-carboxylate is sourced from PubChem (CID 71101413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).