methyl 2-(2-cyclobutyl-1,3-thiazol-4-yl)-2-methylpropanoate

C12H17NO2S — CID 116890141

IUPACmethyl 2-(2-cyclobutyl-1,3-thiazol-4-yl)-2-methylpropanoate
SMILESCOC(=O)C(C)(C)c1csc(C2CCC2)n1
InChIInChI=1S/C12H17NO2S/c1-12(2,11(14)15-3)9-7-16-10(13-9)8-5-4-6-8/h7-8H,4-6H2,1-3H3
InChIKeyAEMDNSYAHFNZOG-UHFFFAOYSA-N
MW239.34 g/mol
LogP2.86
Rot. Bonds3

About methyl 2-(2-cyclobutyl-1,3-thiazol-4-yl)-2-methylpropanoate

methyl 2-(2-cyclobutyl-1,3-thiazol-4-yl)-2-methylpropanoate (PubChem CID 116890141) has the molecular formula C12H17NO2S and a molecular weight of 239.34 g/mol. Its IUPAC name is methyl 2-(2-cyclobutyl-1,3-thiazol-4-yl)-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-(2-cyclobutyl-1,3-thiazol-4-yl)-2-methylpropanoate
PubChem CID116890141
Molecular FormulaC12H17NO2S
Molecular Weight239.34 g/mol
Exact Mass239.10
IUPAC Namemethyl 2-(2-cyclobutyl-1,3-thiazol-4-yl)-2-methylpropanoate
SMILESCOC(=O)C(C)(C)c1csc(C2CCC2)n1
InChIInChI=1S/C12H17NO2S/c1-12(2,11(14)15-3)9-7-16-10(13-9)8-5-4-6-8/h7-8H,4-6H2,1-3H3
InChIKeyAEMDNSYAHFNZOG-UHFFFAOYSA-N
XLogP2.86
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 ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-methyl-2-[2-(methylamino)-1,3-thiazol-4-yl]propanoate
CID 130537394
2-methyl-2-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-4-yl]propanoic acid
CID 116889189
2-(2-cyclobutyl-1,3-thiazol-4-yl)-2-methylpropanenitrile
CID 116890193
3-(2-cyclopentyl-1,3-thiazol-4-yl)-3-methylbutan-1-amine
CID 116888466
methyl 2-methyl-2-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]propanoate
CID 112752462
3-(2-cyclobutyl-1,3-thiazol-4-yl)-2,2-dimethylpropanoic acid
CID 116889315
methyl 2-methyl-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)propanoate
CID 116890129
2-[2-(4-methylcyclohexyl)-1,3-thiazol-4-yl]propan-2-ol
CID 121449499
ethyl 2-(2-cyclobutyl-1,3-thiazol-4-yl)acetate
CID 80573343
ethyl 2-cyclobutyl-1,3-thiazole-4-carboxylate
CID 54513950
methyl 2-(2-cyclopentyl-1,3-thiazol-4-yl)butanoate
CID 116891448
methyl 2-methyl-2-[2-(1H-pyrrol-2-yl)-1,3-thiazol-4-yl]propanoate
CID 136988902

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-cyclobutyl-1,3-thiazol-4-yl)-2-methylpropanoate?
The IUPAC name of methyl 2-(2-cyclobutyl-1,3-thiazol-4-yl)-2-methylpropanoate (CID 116890141) is methyl 2-(2-cyclobutyl-1,3-thiazol-4-yl)-2-methylpropanoate.
What is the SMILES notation for methyl 2-(2-cyclobutyl-1,3-thiazol-4-yl)-2-methylpropanoate?
The canonical SMILES for methyl 2-(2-cyclobutyl-1,3-thiazol-4-yl)-2-methylpropanoate is COC(=O)C(C)(C)c1csc(C2CCC2)n1.
What is the InChIKey of methyl 2-(2-cyclobutyl-1,3-thiazol-4-yl)-2-methylpropanoate?
The InChIKey is AEMDNSYAHFNZOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2S/c1-12(2,11(14)15-3)9-7-16-10(13-9)8-5-4-6-8/h7-8H,4-6H2,1-3H3.
What are the key properties of methyl 2-(2-cyclobutyl-1,3-thiazol-4-yl)-2-methylpropanoate?
methyl 2-(2-cyclobutyl-1,3-thiazol-4-yl)-2-methylpropanoate has a molecular weight of 239.34 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-cyclobutyl-1,3-thiazol-4-yl)-2-methylpropanoate is sourced from PubChem (CID 116890141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).