methyl 2-(4-cyclohexyl-1,3-thiazol-2-yl)acetate

C12H17NO2S — CID 51001637

IUPACmethyl 2-(4-cyclohexyl-1,3-thiazol-2-yl)acetate
SMILESCOC(=O)Cc1nc(C2CCCCC2)cs1
InChIInChI=1S/C12H17NO2S/c1-15-12(14)7-11-13-10(8-16-11)9-5-3-2-4-6-9/h8-9H,2-7H2,1H3
InChIKeyATWLLBLEYULTQR-UHFFFAOYSA-N
MW239.34 g/mol
LogP2.91
Rot. Bonds3

About methyl 2-(4-cyclohexyl-1,3-thiazol-2-yl)acetate

methyl 2-(4-cyclohexyl-1,3-thiazol-2-yl)acetate (PubChem CID 51001637) has the molecular formula C12H17NO2S and a molecular weight of 239.34 g/mol. Its IUPAC name is methyl 2-(4-cyclohexyl-1,3-thiazol-2-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(4-cyclohexyl-1,3-thiazol-2-yl)acetate
PubChem CID51001637
Molecular FormulaC12H17NO2S
Molecular Weight239.34 g/mol
Exact Mass239.10
IUPAC Namemethyl 2-(4-cyclohexyl-1,3-thiazol-2-yl)acetate
SMILESCOC(=O)Cc1nc(C2CCCCC2)cs1
InChIInChI=1S/C12H17NO2S/c1-15-12(14)7-11-13-10(8-16-11)9-5-3-2-4-6-9/h8-9H,2-7H2,1H3
InChIKeyATWLLBLEYULTQR-UHFFFAOYSA-N
XLogP2.91
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-cyclohexyl-1,3-thiazol-2-yl)acetate?
The IUPAC name of methyl 2-(4-cyclohexyl-1,3-thiazol-2-yl)acetate (CID 51001637) is methyl 2-(4-cyclohexyl-1,3-thiazol-2-yl)acetate.
What is the SMILES notation for methyl 2-(4-cyclohexyl-1,3-thiazol-2-yl)acetate?
The canonical SMILES for methyl 2-(4-cyclohexyl-1,3-thiazol-2-yl)acetate is COC(=O)Cc1nc(C2CCCCC2)cs1.
What is the InChIKey of methyl 2-(4-cyclohexyl-1,3-thiazol-2-yl)acetate?
The InChIKey is ATWLLBLEYULTQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2S/c1-15-12(14)7-11-13-10(8-16-11)9-5-3-2-4-6-9/h8-9H,2-7H2,1H3.
What are the key properties of methyl 2-(4-cyclohexyl-1,3-thiazol-2-yl)acetate?
methyl 2-(4-cyclohexyl-1,3-thiazol-2-yl)acetate has a molecular weight of 239.34 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-cyclohexyl-1,3-thiazol-2-yl)acetate is sourced from PubChem (CID 51001637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).