ethyl 2-[2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-1,3-thiazol-4-yl]acetate

C16H24N2O2S — CID 80574960

IUPACethyl 2-[2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(N(C)CC2CC3CCC2C3)n1
InChIInChI=1S/C16H24N2O2S/c1-3-20-15(19)8-14-10-21-16(17-14)18(2)9-13-7-11-4-5-12(13)6-11/h10-13H,3-9H2,1-2H3
InChIKeyAATOIBHFOLNJPU-UHFFFAOYSA-N
MW308.45 g/mol
LogP3.12
Rot. Bonds6

About ethyl 2-[2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-1,3-thiazol-4-yl]acetate

ethyl 2-[2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-1,3-thiazol-4-yl]acetate (PubChem CID 80574960) has the molecular formula C16H24N2O2S and a molecular weight of 308.45 g/mol. Its IUPAC name is ethyl 2-[2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-1,3-thiazol-4-yl]acetate
PubChem CID80574960
Molecular FormulaC16H24N2O2S
Molecular Weight308.45 g/mol
Exact Mass308.16
IUPAC Nameethyl 2-[2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(N(C)CC2CC3CCC2C3)n1
InChIInChI=1S/C16H24N2O2S/c1-3-20-15(19)8-14-10-21-16(17-14)18(2)9-13-7-11-4-5-12(13)6-11/h10-13H,3-9H2,1-2H3
InChIKeyAATOIBHFOLNJPU-UHFFFAOYSA-N
XLogP3.12
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 2-[2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-1,3-thiazol-4-yl]acetate with MolForge

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Related Compounds

1-[2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-1,3-thiazol-4-yl]ethanol
CID 64544614
ethyl 3-[2-[cyclopropylmethyl(methyl)amino]-1,3-thiazol-4-yl]propanoate
CID 103486474
ethyl 2-[2-[methyl(3,3,3-trifluoropropyl)amino]-1,3-thiazol-4-yl]acetate
CID 80576648
ethyl 2-[2-[2-cyanoethyl(methyl)amino]-1,3-thiazol-4-yl]acetate
CID 80575673
ethyl 2-[2-[(1-ethylpiperidin-4-yl)-methylamino]-1,3-thiazol-4-yl]acetate
CID 80574132
ethyl 3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]butanoate
CID 63683321
ethyl 2-[2-[methyl-(2-methyloxolan-3-yl)amino]-1,3-thiazol-4-yl]acetate
CID 82745640
ethyl 2-[2-(N,3,5-trimethylanilino)-1,3-thiazol-4-yl]acetate
CID 80574171
ethyl 2-[methyl-[(2-methylcyclopropyl)methyl]amino]-1,3-thiazole-4-carboxylate
CID 80568633
1-[4-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]-1,3-thiazol-2-yl]ethanamine
CID 66384871
ethyl 2-[2-[ethyl(oxolan-2-ylmethyl)amino]-1,3-thiazol-4-yl]acetate
CID 80575254
ethyl 2-(2-cyclobutyl-1,3-thiazol-4-yl)acetate
CID 80573343

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-1,3-thiazol-4-yl]acetate (CID 80574960) is ethyl 2-[2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(N(C)CC2CC3CCC2C3)n1.
What is the InChIKey of ethyl 2-[2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-1,3-thiazol-4-yl]acetate?
The InChIKey is AATOIBHFOLNJPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2S/c1-3-20-15(19)8-14-10-21-16(17-14)18(2)9-13-7-11-4-5-12(13)6-11/h10-13H,3-9H2,1-2H3.
What are the key properties of ethyl 2-[2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-1,3-thiazol-4-yl]acetate has a molecular weight of 308.45 g/mol, XLogP of 3.12, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 80574960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).