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

C7H10N2O3S — CID 137194848

IUPAC2-ethoxy-N-(4-oxo-1,3-thiazolidin-2-ylidene)acetamide
SMILESCCOCC(=O)/N=C1/NC(=O)CS1
InChIInChI=1S/C7H10N2O3S/c1-2-12-3-5(10)8-7-9-6(11)4-13-7/h2-4H2,1H3,(H,8,9,10,11)
InChIKeyNTIAYNSCMQGPRH-UHFFFAOYSA-N
MW202.23 g/mol
LogP-0.23
Rot. Bonds3

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

2-ethoxy-N-(4-oxo-1,3-thiazolidin-2-ylidene)acetamide (PubChem CID 137194848) has the molecular formula C7H10N2O3S and a molecular weight of 202.23 g/mol. Its IUPAC name is 2-ethoxy-N-(4-oxo-1,3-thiazolidin-2-ylidene)acetamide.

Molecular Properties

Compound Name2-ethoxy-N-(4-oxo-1,3-thiazolidin-2-ylidene)acetamide
PubChem CID137194848
Molecular FormulaC7H10N2O3S
Molecular Weight202.23 g/mol
Exact Mass202.04
IUPAC Name2-ethoxy-N-(4-oxo-1,3-thiazolidin-2-ylidene)acetamide
SMILESCCOCC(=O)/N=C1/NC(=O)CS1
InChIInChI=1S/C7H10N2O3S/c1-2-12-3-5(10)8-7-9-6(11)4-13-7/h2-4H2,1H3,(H,8,9,10,11)
InChIKeyNTIAYNSCMQGPRH-UHFFFAOYSA-N
XLogP-0.23
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.23
LogP ≤ 5-0.23
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 2-ethoxy-N-(4-oxo-1,3-thiazolidin-2-ylidene)acetamide?
The IUPAC name of 2-ethoxy-N-(4-oxo-1,3-thiazolidin-2-ylidene)acetamide (CID 137194848) is 2-ethoxy-N-(4-oxo-1,3-thiazolidin-2-ylidene)acetamide.
What is the SMILES notation for 2-ethoxy-N-(4-oxo-1,3-thiazolidin-2-ylidene)acetamide?
The canonical SMILES for 2-ethoxy-N-(4-oxo-1,3-thiazolidin-2-ylidene)acetamide is CCOCC(=O)/N=C1/NC(=O)CS1.
What is the InChIKey of 2-ethoxy-N-(4-oxo-1,3-thiazolidin-2-ylidene)acetamide?
The InChIKey is NTIAYNSCMQGPRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O3S/c1-2-12-3-5(10)8-7-9-6(11)4-13-7/h2-4H2,1H3,(H,8,9,10,11).
What are the key properties of 2-ethoxy-N-(4-oxo-1,3-thiazolidin-2-ylidene)acetamide?
2-ethoxy-N-(4-oxo-1,3-thiazolidin-2-ylidene)acetamide has a molecular weight of 202.23 g/mol, XLogP of -0.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-(4-oxo-1,3-thiazolidin-2-ylidene)acetamide is sourced from PubChem (CID 137194848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).