ethyl 2-cyclohexyl-3-oxo-3-(1,3-thiazol-2-ylamino)propanoate

C14H20N2O3S — CID 2877903

IUPACethyl 2-cyclohexyl-3-oxo-3-(1,3-thiazol-2-ylamino)propanoate
SMILESCCOC(=O)C(C(=O)Nc1nccs1)C1CCCCC1
InChIInChI=1S/C14H20N2O3S/c1-2-19-13(18)11(10-6-4-3-5-7-10)12(17)16-14-15-8-9-20-14/h8-11H,2-7H2,1H3,(H,15,16,17)
InChIKeyAJNLHBZLBYGBSW-UHFFFAOYSA-N
MW296.39 g/mol
LogP2.84
Rot. Bonds5

About ethyl 2-cyclohexyl-3-oxo-3-(1,3-thiazol-2-ylamino)propanoate

ethyl 2-cyclohexyl-3-oxo-3-(1,3-thiazol-2-ylamino)propanoate (PubChem CID 2877903) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is ethyl 2-cyclohexyl-3-oxo-3-(1,3-thiazol-2-ylamino)propanoate.

Molecular Properties

Compound Nameethyl 2-cyclohexyl-3-oxo-3-(1,3-thiazol-2-ylamino)propanoate
PubChem CID2877903
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC Nameethyl 2-cyclohexyl-3-oxo-3-(1,3-thiazol-2-ylamino)propanoate
SMILESCCOC(=O)C(C(=O)Nc1nccs1)C1CCCCC1
InChIInChI=1S/C14H20N2O3S/c1-2-19-13(18)11(10-6-4-3-5-7-10)12(17)16-14-15-8-9-20-14/h8-11H,2-7H2,1H3,(H,15,16,17)
InChIKeyAJNLHBZLBYGBSW-UHFFFAOYSA-N
XLogP2.84
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-cyclohexyl-3-oxo-3-(1,3-thiazol-2-ylamino)propanoate?
The IUPAC name of ethyl 2-cyclohexyl-3-oxo-3-(1,3-thiazol-2-ylamino)propanoate (CID 2877903) is ethyl 2-cyclohexyl-3-oxo-3-(1,3-thiazol-2-ylamino)propanoate.
What is the SMILES notation for ethyl 2-cyclohexyl-3-oxo-3-(1,3-thiazol-2-ylamino)propanoate?
The canonical SMILES for ethyl 2-cyclohexyl-3-oxo-3-(1,3-thiazol-2-ylamino)propanoate is CCOC(=O)C(C(=O)Nc1nccs1)C1CCCCC1.
What is the InChIKey of ethyl 2-cyclohexyl-3-oxo-3-(1,3-thiazol-2-ylamino)propanoate?
The InChIKey is AJNLHBZLBYGBSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-2-19-13(18)11(10-6-4-3-5-7-10)12(17)16-14-15-8-9-20-14/h8-11H,2-7H2,1H3,(H,15,16,17).
What are the key properties of ethyl 2-cyclohexyl-3-oxo-3-(1,3-thiazol-2-ylamino)propanoate?
ethyl 2-cyclohexyl-3-oxo-3-(1,3-thiazol-2-ylamino)propanoate has a molecular weight of 296.39 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-cyclohexyl-3-oxo-3-(1,3-thiazol-2-ylamino)propanoate is sourced from PubChem (CID 2877903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).