ethyl 2-[(4,4-diethyl-1,3-thiazolidin-2-ylidene)amino]acetate

C11H20N2O2S — CID 135977326

IUPACethyl 2-[(4,4-diethyl-1,3-thiazolidin-2-ylidene)amino]acetate
SMILESCCOC(=O)C/N=C1/NC(CC)(CC)CS1
InChIInChI=1S/C11H20N2O2S/c1-4-11(5-2)8-16-10(13-11)12-7-9(14)15-6-3/h4-8H2,1-3H3,(H,12,13)
InChIKeySGZZMCUYSPFUIC-UHFFFAOYSA-N
MW244.36 g/mol
LogP1.80
Rot. Bonds5

About ethyl 2-[(4,4-diethyl-1,3-thiazolidin-2-ylidene)amino]acetate

ethyl 2-[(4,4-diethyl-1,3-thiazolidin-2-ylidene)amino]acetate (PubChem CID 135977326) has the molecular formula C11H20N2O2S and a molecular weight of 244.36 g/mol. Its IUPAC name is ethyl 2-[(4,4-diethyl-1,3-thiazolidin-2-ylidene)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[(4,4-diethyl-1,3-thiazolidin-2-ylidene)amino]acetate
PubChem CID135977326
Molecular FormulaC11H20N2O2S
Molecular Weight244.36 g/mol
Exact Mass244.12
IUPAC Nameethyl 2-[(4,4-diethyl-1,3-thiazolidin-2-ylidene)amino]acetate
SMILESCCOC(=O)C/N=C1/NC(CC)(CC)CS1
InChIInChI=1S/C11H20N2O2S/c1-4-11(5-2)8-16-10(13-11)12-7-9(14)15-6-3/h4-8H2,1-3H3,(H,12,13)
InChIKeySGZZMCUYSPFUIC-UHFFFAOYSA-N
XLogP1.80
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(4,4-diethyl-1,3-thiazolidin-2-ylidene)amino]acetate?
The IUPAC name of ethyl 2-[(4,4-diethyl-1,3-thiazolidin-2-ylidene)amino]acetate (CID 135977326) is ethyl 2-[(4,4-diethyl-1,3-thiazolidin-2-ylidene)amino]acetate.
What is the SMILES notation for ethyl 2-[(4,4-diethyl-1,3-thiazolidin-2-ylidene)amino]acetate?
The canonical SMILES for ethyl 2-[(4,4-diethyl-1,3-thiazolidin-2-ylidene)amino]acetate is CCOC(=O)C/N=C1/NC(CC)(CC)CS1.
What is the InChIKey of ethyl 2-[(4,4-diethyl-1,3-thiazolidin-2-ylidene)amino]acetate?
The InChIKey is SGZZMCUYSPFUIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2S/c1-4-11(5-2)8-16-10(13-11)12-7-9(14)15-6-3/h4-8H2,1-3H3,(H,12,13).
What are the key properties of ethyl 2-[(4,4-diethyl-1,3-thiazolidin-2-ylidene)amino]acetate?
ethyl 2-[(4,4-diethyl-1,3-thiazolidin-2-ylidene)amino]acetate has a molecular weight of 244.36 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(4,4-diethyl-1,3-thiazolidin-2-ylidene)amino]acetate is sourced from PubChem (CID 135977326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).