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

C12H18N2O5S — CID 2466457

IUPACethyl (2Z)-2-[3-[2-(2-methoxyethylamino)-2-oxoethyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate
SMILESCCOC(=O)/C=C1\SCC(=O)N1CC(=O)NCCOC
InChIInChI=1S/C12H18N2O5S/c1-3-19-12(17)6-11-14(10(16)8-20-11)7-9(15)13-4-5-18-2/h6H,3-5,7-8H2,1-2H3,(H,13,15)/b11-6-
InChIKeySULMVAZHCIOSHT-WDZFZDKYSA-N
MW302.35 g/mol
LogP-0.27
Rot. Bonds7

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

ethyl (2Z)-2-[3-[2-(2-methoxyethylamino)-2-oxoethyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate (PubChem CID 2466457) has the molecular formula C12H18N2O5S and a molecular weight of 302.35 g/mol. Its IUPAC name is ethyl (2Z)-2-[3-[2-(2-methoxyethylamino)-2-oxoethyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate.

Molecular Properties

Compound Nameethyl (2Z)-2-[3-[2-(2-methoxyethylamino)-2-oxoethyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate
PubChem CID2466457
Molecular FormulaC12H18N2O5S
Molecular Weight302.35 g/mol
Exact Mass302.09
IUPAC Nameethyl (2Z)-2-[3-[2-(2-methoxyethylamino)-2-oxoethyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate
SMILESCCOC(=O)/C=C1\SCC(=O)N1CC(=O)NCCOC
InChIInChI=1S/C12H18N2O5S/c1-3-19-12(17)6-11-14(10(16)8-20-11)7-9(15)13-4-5-18-2/h6H,3-5,7-8H2,1-2H3,(H,13,15)/b11-6-
InChIKeySULMVAZHCIOSHT-WDZFZDKYSA-N
XLogP-0.27
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 5-0.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl (2Z)-2-[3-[2-(2-methoxyethylamino)-2-oxoethyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate?
The IUPAC name of ethyl (2Z)-2-[3-[2-(2-methoxyethylamino)-2-oxoethyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate (CID 2466457) is ethyl (2Z)-2-[3-[2-(2-methoxyethylamino)-2-oxoethyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate.
What is the SMILES notation for ethyl (2Z)-2-[3-[2-(2-methoxyethylamino)-2-oxoethyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate?
The canonical SMILES for ethyl (2Z)-2-[3-[2-(2-methoxyethylamino)-2-oxoethyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate is CCOC(=O)/C=C1\SCC(=O)N1CC(=O)NCCOC.
What is the InChIKey of ethyl (2Z)-2-[3-[2-(2-methoxyethylamino)-2-oxoethyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate?
The InChIKey is SULMVAZHCIOSHT-WDZFZDKYSA-N. The full InChI is InChI=1S/C12H18N2O5S/c1-3-19-12(17)6-11-14(10(16)8-20-11)7-9(15)13-4-5-18-2/h6H,3-5,7-8H2,1-2H3,(H,13,15)/b11-6-.
What are the key properties of ethyl (2Z)-2-[3-[2-(2-methoxyethylamino)-2-oxoethyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate?
ethyl (2Z)-2-[3-[2-(2-methoxyethylamino)-2-oxoethyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate has a molecular weight of 302.35 g/mol, XLogP of -0.27, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2Z)-2-[3-[2-(2-methoxyethylamino)-2-oxoethyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate is sourced from PubChem (CID 2466457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).