ethyl 3-[2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazol-4-yl]propanoate

C16H24N2O2S — CID 103485368

IUPACethyl 3-[2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazol-4-yl]propanoate
SMILESCCOC(=O)CCc1csc(C2CC3CCC(C2)N3C)n1
InChIInChI=1S/C16H24N2O2S/c1-3-20-15(19)7-4-12-10-21-16(17-12)11-8-13-5-6-14(9-11)18(13)2/h10-11,13-14H,3-9H2,1-2H3
InChIKeyBPJQWHXWXXDRHG-UHFFFAOYSA-N
MW308.45 g/mol
LogP2.98
Rot. Bonds5

About ethyl 3-[2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazol-4-yl]propanoate

ethyl 3-[2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazol-4-yl]propanoate (PubChem CID 103485368) has the molecular formula C16H24N2O2S and a molecular weight of 308.45 g/mol. Its IUPAC name is ethyl 3-[2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazol-4-yl]propanoate.

Molecular Properties

Compound Nameethyl 3-[2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazol-4-yl]propanoate
PubChem CID103485368
Molecular FormulaC16H24N2O2S
Molecular Weight308.45 g/mol
Exact Mass308.16
IUPAC Nameethyl 3-[2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazol-4-yl]propanoate
SMILESCCOC(=O)CCc1csc(C2CC3CCC(C2)N3C)n1
InChIInChI=1S/C16H24N2O2S/c1-3-20-15(19)7-4-12-10-21-16(17-12)11-8-13-5-6-14(9-11)18(13)2/h10-11,13-14H,3-9H2,1-2H3
InChIKeyBPJQWHXWXXDRHG-UHFFFAOYSA-N
XLogP2.98
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 3-[2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazol-4-yl]propanoate with MolForge

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Related Compounds

ethyl 3-(2-cyclohexyl-1,3-thiazol-4-yl)propanoate
CID 103485101
ethyl 3-[2-(4-propylcyclohexyl)-1,3-thiazol-4-yl]propanoate
CID 103485335
ethyl 3-[2-(2,2-dicyclopropylethylamino)-1,3-thiazol-4-yl]propanoate
CID 103487938
ethyl 2-(2-cyclobutyl-1,3-thiazol-4-yl)acetate
CID 80573343
ethyl 2-(2-cyclooctyl-1,3-thiazol-4-yl)acetate
CID 80602146
ethyl 3-[2-(3,4-dimethylpyrrolidin-1-yl)-1,3-thiazol-4-yl]propanoate
CID 103487842
2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazol-4-ol
CID 130501372
ethyl 3-[2-[cyclopropylmethyl(methyl)amino]-1,3-thiazol-4-yl]propanoate
CID 103486474
ethyl 3-[2-(4-methoxypiperidin-1-yl)-1,3-thiazol-4-yl]propanoate
CID 103486208
ethyl 3-[2-(2,2-dimethylpropyl)-1,3-thiazol-4-yl]propanoate
CID 103485384
ethyl 3-[2-[(3-methylcyclobutyl)amino]-1,3-thiazol-4-yl]propanoate
CID 103488590
ethyl 3-[2-(cyclooctylamino)-1,3-thiazol-4-yl]propanoate
CID 103485947

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazol-4-yl]propanoate?
The IUPAC name of ethyl 3-[2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazol-4-yl]propanoate (CID 103485368) is ethyl 3-[2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazol-4-yl]propanoate.
What is the SMILES notation for ethyl 3-[2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazol-4-yl]propanoate?
The canonical SMILES for ethyl 3-[2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazol-4-yl]propanoate is CCOC(=O)CCc1csc(C2CC3CCC(C2)N3C)n1.
What is the InChIKey of ethyl 3-[2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazol-4-yl]propanoate?
The InChIKey is BPJQWHXWXXDRHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2S/c1-3-20-15(19)7-4-12-10-21-16(17-12)11-8-13-5-6-14(9-11)18(13)2/h10-11,13-14H,3-9H2,1-2H3.
What are the key properties of ethyl 3-[2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazol-4-yl]propanoate?
ethyl 3-[2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazol-4-yl]propanoate has a molecular weight of 308.45 g/mol, XLogP of 2.98, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazol-4-yl]propanoate is sourced from PubChem (CID 103485368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).