ethyl 3-[6-[4-(cyclobutylmethyl)-1,3-thiazol-2-yl]-2-pyridinyl]-2,2-dimethylpropanoate

C20H26N2O2S — CID 121301957

IUPACethyl 3-[6-[4-(cyclobutylmethyl)-1,3-thiazol-2-yl]-2-pyridinyl]-2,2-dimethylpropanoate
SMILESCCOC(=O)C(C)(C)Cc1cccc(-c2nc(CC3CCC3)cs2)n1
InChIInChI=1S/C20H26N2O2S/c1-4-24-19(23)20(2,3)12-15-9-6-10-17(21-15)18-22-16(13-25-18)11-14-7-5-8-14/h6,9-10,13-14H,4-5,7-8,11-12H2,1-3H3
InChIKeyMCAAUAKBVWZVQF-UHFFFAOYSA-N
MW358.51 g/mol
LogP4.68
Rot. Bonds7

About ethyl 3-[6-[4-(cyclobutylmethyl)-1,3-thiazol-2-yl]-2-pyridinyl]-2,2-dimethylpropanoate

ethyl 3-[6-[4-(cyclobutylmethyl)-1,3-thiazol-2-yl]-2-pyridinyl]-2,2-dimethylpropanoate (PubChem CID 121301957) has the molecular formula C20H26N2O2S and a molecular weight of 358.51 g/mol. Its IUPAC name is ethyl 3-[6-[4-(cyclobutylmethyl)-1,3-thiazol-2-yl]-2-pyridinyl]-2,2-dimethylpropanoate.

Molecular Properties

Compound Nameethyl 3-[6-[4-(cyclobutylmethyl)-1,3-thiazol-2-yl]-2-pyridinyl]-2,2-dimethylpropanoate
PubChem CID121301957
Molecular FormulaC20H26N2O2S
Molecular Weight358.51 g/mol
Exact Mass358.17
IUPAC Nameethyl 3-[6-[4-(cyclobutylmethyl)-1,3-thiazol-2-yl]-2-pyridinyl]-2,2-dimethylpropanoate
SMILESCCOC(=O)C(C)(C)Cc1cccc(-c2nc(CC3CCC3)cs2)n1
InChIInChI=1S/C20H26N2O2S/c1-4-24-19(23)20(2,3)12-15-9-6-10-17(21-15)18-22-16(13-25-18)11-14-7-5-8-14/h6,9-10,13-14H,4-5,7-8,11-12H2,1-3H3
InChIKeyMCAAUAKBVWZVQF-UHFFFAOYSA-N
XLogP4.68
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.51
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 3-[6-[4-(cyclobutylmethyl)-1,3-thiazol-2-yl]-2-pyridinyl]-2,2-dimethylpropanoate with MolForge

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Related Compounds

ethyl 2-[2-(6-methoxy-2-pyridinyl)-1,3-thiazol-4-yl]-2-methylpropanoate
CID 103347819
2-[6-(4-ethyl-1,3-thiazol-2-yl)-2-pyridinyl]propan-2-ol
CID 121308355
carbon dioxide;3-[4-(cyclobutylmethyl)-1,3-thiazol-2-yl]-5-(2,2-dimethylpropyl)-1,2-oxazole
CID 161323243
3-[3-[4-(cyclobutylmethyl)-1,3-thiazol-2-yl]-1,2-oxazol-5-yl]-2,2-dimethylbutanoic acid
CID 121301977
ethyl 2-(aminomethyl)-2-methyl-3-(2-methyl-1,3-thiazol-4-yl)propanoate
CID 106487078
ethyl (2S)-2-(4-ethyl-1,3-thiazol-2-yl)-2-hydroxypropanoate
CID 129388918
4-(cyclohexylmethyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide
CID 123429134
ethyl 2-(2-quinolin-2-yl-1,3-thiazol-4-yl)acetate
CID 80573402
4-(cyclohexylmethyl)-2-methyl-1,3-thiazole
CID 174858890
ethyl 2-methyl-2-[2-(2H-triazol-4-yl)-1,3-thiazol-4-yl]propanoate
CID 113369821
ethyl 5-[2-(4-chloro-2-piperidin-4-ylphenyl)-1,3-thiazol-4-yl]-2,2-dimethyl-4-oxopentanoate
CID 161292204
ethyl 3-(3-ethylphenyl)-2,2-dimethylpropanoate
CID 129262497

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[6-[4-(cyclobutylmethyl)-1,3-thiazol-2-yl]-2-pyridinyl]-2,2-dimethylpropanoate?
The IUPAC name of ethyl 3-[6-[4-(cyclobutylmethyl)-1,3-thiazol-2-yl]-2-pyridinyl]-2,2-dimethylpropanoate (CID 121301957) is ethyl 3-[6-[4-(cyclobutylmethyl)-1,3-thiazol-2-yl]-2-pyridinyl]-2,2-dimethylpropanoate.
What is the SMILES notation for ethyl 3-[6-[4-(cyclobutylmethyl)-1,3-thiazol-2-yl]-2-pyridinyl]-2,2-dimethylpropanoate?
The canonical SMILES for ethyl 3-[6-[4-(cyclobutylmethyl)-1,3-thiazol-2-yl]-2-pyridinyl]-2,2-dimethylpropanoate is CCOC(=O)C(C)(C)Cc1cccc(-c2nc(CC3CCC3)cs2)n1.
What is the InChIKey of ethyl 3-[6-[4-(cyclobutylmethyl)-1,3-thiazol-2-yl]-2-pyridinyl]-2,2-dimethylpropanoate?
The InChIKey is MCAAUAKBVWZVQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2S/c1-4-24-19(23)20(2,3)12-15-9-6-10-17(21-15)18-22-16(13-25-18)11-14-7-5-8-14/h6,9-10,13-14H,4-5,7-8,11-12H2,1-3H3.
What are the key properties of ethyl 3-[6-[4-(cyclobutylmethyl)-1,3-thiazol-2-yl]-2-pyridinyl]-2,2-dimethylpropanoate?
ethyl 3-[6-[4-(cyclobutylmethyl)-1,3-thiazol-2-yl]-2-pyridinyl]-2,2-dimethylpropanoate has a molecular weight of 358.51 g/mol, XLogP of 4.68, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[6-[4-(cyclobutylmethyl)-1,3-thiazol-2-yl]-2-pyridinyl]-2,2-dimethylpropanoate is sourced from PubChem (CID 121301957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).