ethyl 2-(cycloheptylamino)-2-(1,3-thiazol-2-yl)acetate

C14H22N2O2S — CID 113373043

IUPACethyl 2-(cycloheptylamino)-2-(1,3-thiazol-2-yl)acetate
SMILESCCOC(=O)C(NC1CCCCCC1)c1nccs1
InChIInChI=1S/C14H22N2O2S/c1-2-18-14(17)12(13-15-9-10-19-13)16-11-7-5-3-4-6-8-11/h9-12,16H,2-8H2,1H3
InChIKeyQCDQMUOSJYLCLK-UHFFFAOYSA-N
MW282.41 g/mol
LogP3.06
Rot. Bonds5

About ethyl 2-(cycloheptylamino)-2-(1,3-thiazol-2-yl)acetate

ethyl 2-(cycloheptylamino)-2-(1,3-thiazol-2-yl)acetate (PubChem CID 113373043) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is ethyl 2-(cycloheptylamino)-2-(1,3-thiazol-2-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(cycloheptylamino)-2-(1,3-thiazol-2-yl)acetate
PubChem CID113373043
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Nameethyl 2-(cycloheptylamino)-2-(1,3-thiazol-2-yl)acetate
SMILESCCOC(=O)C(NC1CCCCCC1)c1nccs1
InChIInChI=1S/C14H22N2O2S/c1-2-18-14(17)12(13-15-9-10-19-13)16-11-7-5-3-4-6-8-11/h9-12,16H,2-8H2,1H3
InChIKeyQCDQMUOSJYLCLK-UHFFFAOYSA-N
XLogP3.06
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-(cyclopentylamino)-2-(4-methyl-1,3-thiazol-2-yl)acetate
CID 113451366
ethyl 2-(cyclopentylamino)-2-thiophen-3-ylacetate
CID 54892913
ethyl 2-(cyclohexylamino)-2-(5-methylthiophen-2-yl)acetate
CID 61345599
ethyl 2-(cyclohexylamino)-2-(6-methyl-3-pyridinyl)acetate
CID 104822573
ethyl 2-(1,3-thiazol-2-yl)propanoate
CID 158867991
ethyl 2-(5-bromothiophen-2-yl)-2-(cycloheptylamino)acetate
CID 61346829
ethyl 2-(cycloheptylamino)-2-(1,3-dimethylpyrazol-4-yl)acetate
CID 83091200
ethyl 2-(cyclopentylamino)-2-(4-hydroxy-3,5-dimethylphenyl)acetate
CID 60998655
ethyl 2-(cyclooctylamino)propanoate
CID 61498293
ethyl 2-(cycloheptylamino)-2-(1,3-thiazol-2-yl)propanoate
CID 64991309
1-cyclohexyl-3-[1-(1,3-thiazol-2-yl)ethyl]urea
CID 115616432
ethyl 2-(4-chloro-2-fluorophenyl)-2-(cyclohexylamino)acetate
CID 114843746

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(cycloheptylamino)-2-(1,3-thiazol-2-yl)acetate?
The IUPAC name of ethyl 2-(cycloheptylamino)-2-(1,3-thiazol-2-yl)acetate (CID 113373043) is ethyl 2-(cycloheptylamino)-2-(1,3-thiazol-2-yl)acetate.
What is the SMILES notation for ethyl 2-(cycloheptylamino)-2-(1,3-thiazol-2-yl)acetate?
The canonical SMILES for ethyl 2-(cycloheptylamino)-2-(1,3-thiazol-2-yl)acetate is CCOC(=O)C(NC1CCCCCC1)c1nccs1.
What is the InChIKey of ethyl 2-(cycloheptylamino)-2-(1,3-thiazol-2-yl)acetate?
The InChIKey is QCDQMUOSJYLCLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-2-18-14(17)12(13-15-9-10-19-13)16-11-7-5-3-4-6-8-11/h9-12,16H,2-8H2,1H3.
What are the key properties of ethyl 2-(cycloheptylamino)-2-(1,3-thiazol-2-yl)acetate?
ethyl 2-(cycloheptylamino)-2-(1,3-thiazol-2-yl)acetate has a molecular weight of 282.41 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(cycloheptylamino)-2-(1,3-thiazol-2-yl)acetate is sourced from PubChem (CID 113373043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).