(2E)-N-(2-ethoxyphenyl)-2-(4-oxo-1,3-thiazolidin-2-ylidene)acetamide

C13H14N2O3S — CID 5388655

IUPAC(2E)-N-(2-ethoxyphenyl)-2-(4-oxo-1,3-thiazolidin-2-ylidene)acetamide
SMILESCCOc1ccccc1NC(=O)/C=C1\NC(=O)CS1
InChIInChI=1S/C13H14N2O3S/c1-2-18-10-6-4-3-5-9(10)14-11(16)7-13-15-12(17)8-19-13/h3-7H,2,8H2,1H3,(H,14,16)(H,15,17)/b13-7+
InChIKeyLRIDALASTMKSFZ-NTUHNPAUSA-N
MW278.33 g/mol
LogP1.73
Rot. Bonds4

About (2E)-N-(2-ethoxyphenyl)-2-(4-oxo-1,3-thiazolidin-2-ylidene)acetamide

(2E)-N-(2-ethoxyphenyl)-2-(4-oxo-1,3-thiazolidin-2-ylidene)acetamide (PubChem CID 5388655) has the molecular formula C13H14N2O3S and a molecular weight of 278.33 g/mol. Its IUPAC name is (2E)-N-(2-ethoxyphenyl)-2-(4-oxo-1,3-thiazolidin-2-ylidene)acetamide.

Molecular Properties

Compound Name(2E)-N-(2-ethoxyphenyl)-2-(4-oxo-1,3-thiazolidin-2-ylidene)acetamide
PubChem CID5388655
Molecular FormulaC13H14N2O3S
Molecular Weight278.33 g/mol
Exact Mass278.07
IUPAC Name(2E)-N-(2-ethoxyphenyl)-2-(4-oxo-1,3-thiazolidin-2-ylidene)acetamide
SMILESCCOc1ccccc1NC(=O)/C=C1\NC(=O)CS1
InChIInChI=1S/C13H14N2O3S/c1-2-18-10-6-4-3-5-9(10)14-11(16)7-13-15-12(17)8-19-13/h3-7H,2,8H2,1H3,(H,14,16)(H,15,17)/b13-7+
InChIKeyLRIDALASTMKSFZ-NTUHNPAUSA-N
XLogP1.73
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E)-N-(2-ethoxyphenyl)-2-(4-oxo-1,3-thiazolidin-2-ylidene)acetamide?
The IUPAC name of (2E)-N-(2-ethoxyphenyl)-2-(4-oxo-1,3-thiazolidin-2-ylidene)acetamide (CID 5388655) is (2E)-N-(2-ethoxyphenyl)-2-(4-oxo-1,3-thiazolidin-2-ylidene)acetamide.
What is the SMILES notation for (2E)-N-(2-ethoxyphenyl)-2-(4-oxo-1,3-thiazolidin-2-ylidene)acetamide?
The canonical SMILES for (2E)-N-(2-ethoxyphenyl)-2-(4-oxo-1,3-thiazolidin-2-ylidene)acetamide is CCOc1ccccc1NC(=O)/C=C1\NC(=O)CS1.
What is the InChIKey of (2E)-N-(2-ethoxyphenyl)-2-(4-oxo-1,3-thiazolidin-2-ylidene)acetamide?
The InChIKey is LRIDALASTMKSFZ-NTUHNPAUSA-N. The full InChI is InChI=1S/C13H14N2O3S/c1-2-18-10-6-4-3-5-9(10)14-11(16)7-13-15-12(17)8-19-13/h3-7H,2,8H2,1H3,(H,14,16)(H,15,17)/b13-7+.
What are the key properties of (2E)-N-(2-ethoxyphenyl)-2-(4-oxo-1,3-thiazolidin-2-ylidene)acetamide?
(2E)-N-(2-ethoxyphenyl)-2-(4-oxo-1,3-thiazolidin-2-ylidene)acetamide has a molecular weight of 278.33 g/mol, XLogP of 1.73, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N-(2-ethoxyphenyl)-2-(4-oxo-1,3-thiazolidin-2-ylidene)acetamide is sourced from PubChem (CID 5388655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).