2-[(5E)-3-ethyl-4-oxo-5-(thiophen-3-ylmethylidene)-1,3-thiazolidin-2-ylidene]propanedinitrile

C13H9N3OS2 — CID 17409888

IUPAC2-[(5E)-3-ethyl-4-oxo-5-(thiophen-3-ylmethylidene)-1,3-thiazolidin-2-ylidene]propanedinitrile
SMILESCCn1c(=C(C#N)C#N)s/c(=C/c2ccsc2)c1=O
InChIInChI=1S/C13H9N3OS2/c1-2-16-12(17)11(5-9-3-4-18-8-9)19-13(16)10(6-14)7-15/h3-5,8H,2H2,1H3/b11-5+
InChIKeyLZMNXUVHSNQYEO-VZUCSPMQSA-N
MW287.37 g/mol
LogP1.02
Rot. Bonds2

About 2-[(5E)-3-ethyl-4-oxo-5-(thiophen-3-ylmethylidene)-1,3-thiazolidin-2-ylidene]propanedinitrile

2-[(5E)-3-ethyl-4-oxo-5-(thiophen-3-ylmethylidene)-1,3-thiazolidin-2-ylidene]propanedinitrile (PubChem CID 17409888) has the molecular formula C13H9N3OS2 and a molecular weight of 287.37 g/mol. Its IUPAC name is 2-[(5E)-3-ethyl-4-oxo-5-(thiophen-3-ylmethylidene)-1,3-thiazolidin-2-ylidene]propanedinitrile.

Molecular Properties

Compound Name2-[(5E)-3-ethyl-4-oxo-5-(thiophen-3-ylmethylidene)-1,3-thiazolidin-2-ylidene]propanedinitrile
PubChem CID17409888
Molecular FormulaC13H9N3OS2
Molecular Weight287.37 g/mol
Exact Mass287.02
IUPAC Name2-[(5E)-3-ethyl-4-oxo-5-(thiophen-3-ylmethylidene)-1,3-thiazolidin-2-ylidene]propanedinitrile
SMILESCCn1c(=C(C#N)C#N)s/c(=C/c2ccsc2)c1=O
InChIInChI=1S/C13H9N3OS2/c1-2-16-12(17)11(5-9-3-4-18-8-9)19-13(16)10(6-14)7-15/h3-5,8H,2H2,1H3/b11-5+
InChIKeyLZMNXUVHSNQYEO-VZUCSPMQSA-N
XLogP1.02
TPSA69.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[(5E)-3-ethyl-4-oxo-5-(thiophen-3-ylmethylidene)-1,3-thiazolidin-2-ylidene]propanedinitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(5E)-3-ethyl-4-oxo-5-(thiophen-3-ylmethylidene)-1,3-thiazolidin-2-ylidene]propanedinitrile?
The IUPAC name of 2-[(5E)-3-ethyl-4-oxo-5-(thiophen-3-ylmethylidene)-1,3-thiazolidin-2-ylidene]propanedinitrile (CID 17409888) is 2-[(5E)-3-ethyl-4-oxo-5-(thiophen-3-ylmethylidene)-1,3-thiazolidin-2-ylidene]propanedinitrile.
What is the SMILES notation for 2-[(5E)-3-ethyl-4-oxo-5-(thiophen-3-ylmethylidene)-1,3-thiazolidin-2-ylidene]propanedinitrile?
The canonical SMILES for 2-[(5E)-3-ethyl-4-oxo-5-(thiophen-3-ylmethylidene)-1,3-thiazolidin-2-ylidene]propanedinitrile is CCn1c(=C(C#N)C#N)s/c(=C/c2ccsc2)c1=O.
What is the InChIKey of 2-[(5E)-3-ethyl-4-oxo-5-(thiophen-3-ylmethylidene)-1,3-thiazolidin-2-ylidene]propanedinitrile?
The InChIKey is LZMNXUVHSNQYEO-VZUCSPMQSA-N. The full InChI is InChI=1S/C13H9N3OS2/c1-2-16-12(17)11(5-9-3-4-18-8-9)19-13(16)10(6-14)7-15/h3-5,8H,2H2,1H3/b11-5+.
What are the key properties of 2-[(5E)-3-ethyl-4-oxo-5-(thiophen-3-ylmethylidene)-1,3-thiazolidin-2-ylidene]propanedinitrile?
2-[(5E)-3-ethyl-4-oxo-5-(thiophen-3-ylmethylidene)-1,3-thiazolidin-2-ylidene]propanedinitrile has a molecular weight of 287.37 g/mol, XLogP of 1.02, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5E)-3-ethyl-4-oxo-5-(thiophen-3-ylmethylidene)-1,3-thiazolidin-2-ylidene]propanedinitrile is sourced from PubChem (CID 17409888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).