(2Z)-3-oxo-2-[(5E)-4-oxo-3-prop-2-enyl-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]-3-pyrrolidin-1-ylpropanenitrile

C18H17N3O2S2 — CID 2467940

IUPAC(2Z)-3-oxo-2-[(5E)-4-oxo-3-prop-2-enyl-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]-3-pyrrolidin-1-ylpropanenitrile
SMILESC=CCn1c(=O)/c(=C\c2cccs2)s/c1=C(/C#N)C(=O)N1CCCC1
InChIInChI=1S/C18H17N3O2S2/c1-2-7-21-17(23)15(11-13-6-5-10-24-13)25-18(21)14(12-19)16(22)20-8-3-4-9-20/h2,5-6,10-11H,1,3-4,7-9H2/b15-11+,18-14-
InChIKeyZLNVBJFECJRWLT-IUOKTZCASA-N
MW371.49 g/mol
LogP1.28
Rot. Bonds4

About (2Z)-3-oxo-2-[(5E)-4-oxo-3-prop-2-enyl-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]-3-pyrrolidin-1-ylpropanenitrile

(2Z)-3-oxo-2-[(5E)-4-oxo-3-prop-2-enyl-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]-3-pyrrolidin-1-ylpropanenitrile (PubChem CID 2467940) has the molecular formula C18H17N3O2S2 and a molecular weight of 371.49 g/mol. Its IUPAC name is (2Z)-3-oxo-2-[(5E)-4-oxo-3-prop-2-enyl-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]-3-pyrrolidin-1-ylpropanenitrile.

Molecular Properties

Compound Name(2Z)-3-oxo-2-[(5E)-4-oxo-3-prop-2-enyl-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]-3-pyrrolidin-1-ylpropanenitrile
PubChem CID2467940
Molecular FormulaC18H17N3O2S2
Molecular Weight371.49 g/mol
Exact Mass371.08
IUPAC Name(2Z)-3-oxo-2-[(5E)-4-oxo-3-prop-2-enyl-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]-3-pyrrolidin-1-ylpropanenitrile
SMILESC=CCn1c(=O)/c(=C\c2cccs2)s/c1=C(/C#N)C(=O)N1CCCC1
InChIInChI=1S/C18H17N3O2S2/c1-2-7-21-17(23)15(11-13-6-5-10-24-13)25-18(21)14(12-19)16(22)20-8-3-4-9-20/h2,5-6,10-11H,1,3-4,7-9H2/b15-11+,18-14-
InChIKeyZLNVBJFECJRWLT-IUOKTZCASA-N
XLogP1.28
TPSA66.10 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.49
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (2Z)-3-oxo-2-[(5E)-4-oxo-3-prop-2-enyl-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]-3-pyrrolidin-1-ylpropanenitrile 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 (2Z)-3-oxo-2-[(5E)-4-oxo-3-prop-2-enyl-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]-3-pyrrolidin-1-ylpropanenitrile?
The IUPAC name of (2Z)-3-oxo-2-[(5E)-4-oxo-3-prop-2-enyl-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]-3-pyrrolidin-1-ylpropanenitrile (CID 2467940) is (2Z)-3-oxo-2-[(5E)-4-oxo-3-prop-2-enyl-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]-3-pyrrolidin-1-ylpropanenitrile.
What is the SMILES notation for (2Z)-3-oxo-2-[(5E)-4-oxo-3-prop-2-enyl-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]-3-pyrrolidin-1-ylpropanenitrile?
The canonical SMILES for (2Z)-3-oxo-2-[(5E)-4-oxo-3-prop-2-enyl-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]-3-pyrrolidin-1-ylpropanenitrile is C=CCn1c(=O)/c(=C\c2cccs2)s/c1=C(/C#N)C(=O)N1CCCC1.
What is the InChIKey of (2Z)-3-oxo-2-[(5E)-4-oxo-3-prop-2-enyl-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]-3-pyrrolidin-1-ylpropanenitrile?
The InChIKey is ZLNVBJFECJRWLT-IUOKTZCASA-N. The full InChI is InChI=1S/C18H17N3O2S2/c1-2-7-21-17(23)15(11-13-6-5-10-24-13)25-18(21)14(12-19)16(22)20-8-3-4-9-20/h2,5-6,10-11H,1,3-4,7-9H2/b15-11+,18-14-.
What are the key properties of (2Z)-3-oxo-2-[(5E)-4-oxo-3-prop-2-enyl-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]-3-pyrrolidin-1-ylpropanenitrile?
(2Z)-3-oxo-2-[(5E)-4-oxo-3-prop-2-enyl-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]-3-pyrrolidin-1-ylpropanenitrile has a molecular weight of 371.49 g/mol, XLogP of 1.28, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-3-oxo-2-[(5E)-4-oxo-3-prop-2-enyl-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]-3-pyrrolidin-1-ylpropanenitrile is sourced from PubChem (CID 2467940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).