(2Z)-2-cyano-N-ethyl-2-(3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene)acetamide

C10H13N3O2S — CID 58794479

IUPAC(2Z)-2-cyano-N-ethyl-2-(3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene)acetamide
SMILESCCNC(=O)/C(C#N)=C1\SCC(=O)N1CC
InChIInChI=1S/C10H13N3O2S/c1-3-12-9(15)7(5-11)10-13(4-2)8(14)6-16-10/h3-4,6H2,1-2H3,(H,12,15)/b10-7-
InChIKeyJCGJGVJLHSANGP-YFHOEESVSA-N
MW239.30 g/mol
LogP0.45
Rot. Bonds3

About (2Z)-2-cyano-N-ethyl-2-(3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene)acetamide

(2Z)-2-cyano-N-ethyl-2-(3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene)acetamide (PubChem CID 58794479) has the molecular formula C10H13N3O2S and a molecular weight of 239.30 g/mol. Its IUPAC name is (2Z)-2-cyano-N-ethyl-2-(3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene)acetamide.

Molecular Properties

Compound Name(2Z)-2-cyano-N-ethyl-2-(3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene)acetamide
PubChem CID58794479
Molecular FormulaC10H13N3O2S
Molecular Weight239.30 g/mol
Exact Mass239.07
IUPAC Name(2Z)-2-cyano-N-ethyl-2-(3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene)acetamide
SMILESCCNC(=O)/C(C#N)=C1\SCC(=O)N1CC
InChIInChI=1S/C10H13N3O2S/c1-3-12-9(15)7(5-11)10-13(4-2)8(14)6-16-10/h3-4,6H2,1-2H3,(H,12,15)/b10-7-
InChIKeyJCGJGVJLHSANGP-YFHOEESVSA-N
XLogP0.45
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-cyano-N-ethyl-2-(3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene)acetamide?
The IUPAC name of (2Z)-2-cyano-N-ethyl-2-(3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene)acetamide (CID 58794479) is (2Z)-2-cyano-N-ethyl-2-(3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene)acetamide.
What is the SMILES notation for (2Z)-2-cyano-N-ethyl-2-(3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene)acetamide?
The canonical SMILES for (2Z)-2-cyano-N-ethyl-2-(3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene)acetamide is CCNC(=O)/C(C#N)=C1\SCC(=O)N1CC.
What is the InChIKey of (2Z)-2-cyano-N-ethyl-2-(3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene)acetamide?
The InChIKey is JCGJGVJLHSANGP-YFHOEESVSA-N. The full InChI is InChI=1S/C10H13N3O2S/c1-3-12-9(15)7(5-11)10-13(4-2)8(14)6-16-10/h3-4,6H2,1-2H3,(H,12,15)/b10-7-.
What are the key properties of (2Z)-2-cyano-N-ethyl-2-(3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene)acetamide?
(2Z)-2-cyano-N-ethyl-2-(3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene)acetamide has a molecular weight of 239.30 g/mol, XLogP of 0.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-cyano-N-ethyl-2-(3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene)acetamide is sourced from PubChem (CID 58794479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).