ethyl 2-(5-hydrazinylidene-4-oxo-2-propan-2-ylidene-1,3-thiazolidin-3-yl)acetate

C10H15N3O3S — CID 173320956

IUPACethyl 2-(5-hydrazinylidene-4-oxo-2-propan-2-ylidene-1,3-thiazolidin-3-yl)acetate
SMILESCCOC(=O)CN1C(=O)C(=NN)SC1=C(C)C
InChIInChI=1S/C10H15N3O3S/c1-4-16-7(14)5-13-9(15)8(12-11)17-10(13)6(2)3/h4-5,11H2,1-3H3
InChIKeyWXYRDRNHOQTJMQ-UHFFFAOYSA-N
MW257.31 g/mol
LogP0.65
Rot. Bonds3

About ethyl 2-(5-hydrazinylidene-4-oxo-2-propan-2-ylidene-1,3-thiazolidin-3-yl)acetate

ethyl 2-(5-hydrazinylidene-4-oxo-2-propan-2-ylidene-1,3-thiazolidin-3-yl)acetate (PubChem CID 173320956) has the molecular formula C10H15N3O3S and a molecular weight of 257.31 g/mol. Its IUPAC name is ethyl 2-(5-hydrazinylidene-4-oxo-2-propan-2-ylidene-1,3-thiazolidin-3-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(5-hydrazinylidene-4-oxo-2-propan-2-ylidene-1,3-thiazolidin-3-yl)acetate
PubChem CID173320956
Molecular FormulaC10H15N3O3S
Molecular Weight257.31 g/mol
Exact Mass257.08
IUPAC Nameethyl 2-(5-hydrazinylidene-4-oxo-2-propan-2-ylidene-1,3-thiazolidin-3-yl)acetate
SMILESCCOC(=O)CN1C(=O)C(=NN)SC1=C(C)C
InChIInChI=1S/C10H15N3O3S/c1-4-16-7(14)5-13-9(15)8(12-11)17-10(13)6(2)3/h4-5,11H2,1-3H3
InChIKeyWXYRDRNHOQTJMQ-UHFFFAOYSA-N
XLogP0.65
TPSA84.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(5-hydrazinylidene-4-oxo-2-propan-2-ylidene-1,3-thiazolidin-3-yl)acetate?
The IUPAC name of ethyl 2-(5-hydrazinylidene-4-oxo-2-propan-2-ylidene-1,3-thiazolidin-3-yl)acetate (CID 173320956) is ethyl 2-(5-hydrazinylidene-4-oxo-2-propan-2-ylidene-1,3-thiazolidin-3-yl)acetate.
What is the SMILES notation for ethyl 2-(5-hydrazinylidene-4-oxo-2-propan-2-ylidene-1,3-thiazolidin-3-yl)acetate?
The canonical SMILES for ethyl 2-(5-hydrazinylidene-4-oxo-2-propan-2-ylidene-1,3-thiazolidin-3-yl)acetate is CCOC(=O)CN1C(=O)C(=NN)SC1=C(C)C.
What is the InChIKey of ethyl 2-(5-hydrazinylidene-4-oxo-2-propan-2-ylidene-1,3-thiazolidin-3-yl)acetate?
The InChIKey is WXYRDRNHOQTJMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3S/c1-4-16-7(14)5-13-9(15)8(12-11)17-10(13)6(2)3/h4-5,11H2,1-3H3.
What are the key properties of ethyl 2-(5-hydrazinylidene-4-oxo-2-propan-2-ylidene-1,3-thiazolidin-3-yl)acetate?
ethyl 2-(5-hydrazinylidene-4-oxo-2-propan-2-ylidene-1,3-thiazolidin-3-yl)acetate has a molecular weight of 257.31 g/mol, XLogP of 0.65, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(5-hydrazinylidene-4-oxo-2-propan-2-ylidene-1,3-thiazolidin-3-yl)acetate is sourced from PubChem (CID 173320956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).