ethyl (2Z)-2-[3-[2-(cyclohexylamino)-2-oxoethyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate

C15H22N2O4S — CID 2695328

IUPACethyl (2Z)-2-[3-[2-(cyclohexylamino)-2-oxoethyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate
SMILESCCOC(=O)/C=C1\SCC(=O)N1CC(=O)NC1CCCCC1
InChIInChI=1S/C15H22N2O4S/c1-2-21-15(20)8-14-17(13(19)10-22-14)9-12(18)16-11-6-4-3-5-7-11/h8,11H,2-7,9-10H2,1H3,(H,16,18)/b14-8-
InChIKeyGFZXJBAPBCMKNN-ZSOIEALJSA-N
MW326.42 g/mol
LogP1.42
Rot. Bonds5

About ethyl (2Z)-2-[3-[2-(cyclohexylamino)-2-oxoethyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate

ethyl (2Z)-2-[3-[2-(cyclohexylamino)-2-oxoethyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate (PubChem CID 2695328) has the molecular formula C15H22N2O4S and a molecular weight of 326.42 g/mol. Its IUPAC name is ethyl (2Z)-2-[3-[2-(cyclohexylamino)-2-oxoethyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate.

Molecular Properties

Compound Nameethyl (2Z)-2-[3-[2-(cyclohexylamino)-2-oxoethyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate
PubChem CID2695328
Molecular FormulaC15H22N2O4S
Molecular Weight326.42 g/mol
Exact Mass326.13
IUPAC Nameethyl (2Z)-2-[3-[2-(cyclohexylamino)-2-oxoethyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate
SMILESCCOC(=O)/C=C1\SCC(=O)N1CC(=O)NC1CCCCC1
InChIInChI=1S/C15H22N2O4S/c1-2-21-15(20)8-14-17(13(19)10-22-14)9-12(18)16-11-6-4-3-5-7-11/h8,11H,2-7,9-10H2,1H3,(H,16,18)/b14-8-
InChIKeyGFZXJBAPBCMKNN-ZSOIEALJSA-N
XLogP1.42
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze ethyl (2Z)-2-[3-[2-(cyclohexylamino)-2-oxoethyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl (2Z)-2-[3-[2-(cyclohexylamino)-2-oxoethyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate?
The IUPAC name of ethyl (2Z)-2-[3-[2-(cyclohexylamino)-2-oxoethyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate (CID 2695328) is ethyl (2Z)-2-[3-[2-(cyclohexylamino)-2-oxoethyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate.
What is the SMILES notation for ethyl (2Z)-2-[3-[2-(cyclohexylamino)-2-oxoethyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate?
The canonical SMILES for ethyl (2Z)-2-[3-[2-(cyclohexylamino)-2-oxoethyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate is CCOC(=O)/C=C1\SCC(=O)N1CC(=O)NC1CCCCC1.
What is the InChIKey of ethyl (2Z)-2-[3-[2-(cyclohexylamino)-2-oxoethyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate?
The InChIKey is GFZXJBAPBCMKNN-ZSOIEALJSA-N. The full InChI is InChI=1S/C15H22N2O4S/c1-2-21-15(20)8-14-17(13(19)10-22-14)9-12(18)16-11-6-4-3-5-7-11/h8,11H,2-7,9-10H2,1H3,(H,16,18)/b14-8-.
What are the key properties of ethyl (2Z)-2-[3-[2-(cyclohexylamino)-2-oxoethyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate?
ethyl (2Z)-2-[3-[2-(cyclohexylamino)-2-oxoethyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate has a molecular weight of 326.42 g/mol, XLogP of 1.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2Z)-2-[3-[2-(cyclohexylamino)-2-oxoethyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate is sourced from PubChem (CID 2695328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).