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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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).