methyl 2-[2-[2-(4-methylcyclohexyl)ethyl]-1,3-thiazol-4-yl]acetate

C15H23NO2S — CID 59545211

IUPACmethyl 2-[2-[2-(4-methylcyclohexyl)ethyl]-1,3-thiazol-4-yl]acetate
SMILESCOC(=O)Cc1csc(CCC2CCC(C)CC2)n1
InChIInChI=1S/C15H23NO2S/c1-11-3-5-12(6-4-11)7-8-14-16-13(10-19-14)9-15(17)18-2/h10-12H,3-9H2,1-2H3
InChIKeyZAXKKIHMFBTKML-UHFFFAOYSA-N
MW281.42 g/mol
LogP3.62
Rot. Bonds5

About methyl 2-[2-[2-(4-methylcyclohexyl)ethyl]-1,3-thiazol-4-yl]acetate

methyl 2-[2-[2-(4-methylcyclohexyl)ethyl]-1,3-thiazol-4-yl]acetate (PubChem CID 59545211) has the molecular formula C15H23NO2S and a molecular weight of 281.42 g/mol. Its IUPAC name is methyl 2-[2-[2-(4-methylcyclohexyl)ethyl]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-[2-(4-methylcyclohexyl)ethyl]-1,3-thiazol-4-yl]acetate
PubChem CID59545211
Molecular FormulaC15H23NO2S
Molecular Weight281.42 g/mol
Exact Mass281.14
IUPAC Namemethyl 2-[2-[2-(4-methylcyclohexyl)ethyl]-1,3-thiazol-4-yl]acetate
SMILESCOC(=O)Cc1csc(CCC2CCC(C)CC2)n1
InChIInChI=1S/C15H23NO2S/c1-11-3-5-12(6-4-11)7-8-14-16-13(10-19-14)9-15(17)18-2/h10-12H,3-9H2,1-2H3
InChIKeyZAXKKIHMFBTKML-UHFFFAOYSA-N
XLogP3.62
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[2-(4-methylcyclohexyl)ethyl]-1,3-thiazol-4-yl]acetate?
The IUPAC name of methyl 2-[2-[2-(4-methylcyclohexyl)ethyl]-1,3-thiazol-4-yl]acetate (CID 59545211) is methyl 2-[2-[2-(4-methylcyclohexyl)ethyl]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for methyl 2-[2-[2-(4-methylcyclohexyl)ethyl]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for methyl 2-[2-[2-(4-methylcyclohexyl)ethyl]-1,3-thiazol-4-yl]acetate is COC(=O)Cc1csc(CCC2CCC(C)CC2)n1.
What is the InChIKey of methyl 2-[2-[2-(4-methylcyclohexyl)ethyl]-1,3-thiazol-4-yl]acetate?
The InChIKey is ZAXKKIHMFBTKML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2S/c1-11-3-5-12(6-4-11)7-8-14-16-13(10-19-14)9-15(17)18-2/h10-12H,3-9H2,1-2H3.
What are the key properties of methyl 2-[2-[2-(4-methylcyclohexyl)ethyl]-1,3-thiazol-4-yl]acetate?
methyl 2-[2-[2-(4-methylcyclohexyl)ethyl]-1,3-thiazol-4-yl]acetate has a molecular weight of 281.42 g/mol, XLogP of 3.62, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[2-(4-methylcyclohexyl)ethyl]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 59545211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).