(5Z)-3-prop-2-ynyl-5-(quinoxalin-2-ylmethylidene)-1,3-thiazolidine-2,4-dione

C15H9N3O2S — CID 171934188

IUPAC(5Z)-3-prop-2-ynyl-5-(quinoxalin-2-ylmethylidene)-1,3-thiazolidine-2,4-dione
SMILESC#CCN1C(=O)S/C(=C\c2cnc3ccccc3n2)C1=O
InChIInChI=1S/C15H9N3O2S/c1-2-7-18-14(19)13(21-15(18)20)8-10-9-16-11-5-3-4-6-12(11)17-10/h1,3-6,8-9H,7H2/b13-8-
InChIKeyPEBDTPLGMAZLBV-JYRVWZFOSA-N
MW295.32 g/mol
LogP2.30
Rot. Bonds2

About (5Z)-3-prop-2-ynyl-5-(quinoxalin-2-ylmethylidene)-1,3-thiazolidine-2,4-dione

(5Z)-3-prop-2-ynyl-5-(quinoxalin-2-ylmethylidene)-1,3-thiazolidine-2,4-dione (PubChem CID 171934188) has the molecular formula C15H9N3O2S and a molecular weight of 295.32 g/mol. Its IUPAC name is (5Z)-3-prop-2-ynyl-5-(quinoxalin-2-ylmethylidene)-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-3-prop-2-ynyl-5-(quinoxalin-2-ylmethylidene)-1,3-thiazolidine-2,4-dione
PubChem CID171934188
Molecular FormulaC15H9N3O2S
Molecular Weight295.32 g/mol
Exact Mass295.04
IUPAC Name(5Z)-3-prop-2-ynyl-5-(quinoxalin-2-ylmethylidene)-1,3-thiazolidine-2,4-dione
SMILESC#CCN1C(=O)S/C(=C\c2cnc3ccccc3n2)C1=O
InChIInChI=1S/C15H9N3O2S/c1-2-7-18-14(19)13(21-15(18)20)8-10-9-16-11-5-3-4-6-12(11)17-10/h1,3-6,8-9H,7H2/b13-8-
InChIKeyPEBDTPLGMAZLBV-JYRVWZFOSA-N
XLogP2.30
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.32
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (5Z)-3-prop-2-ynyl-5-(quinoxalin-2-ylmethylidene)-1,3-thiazolidine-2,4-dione with MolForge

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

Launch Full Analysis

Related Compounds

(5Z)-5-[(2-chlorophenyl)methylidene]-3-prop-2-ynyl-1,3-thiazolidine-2,4-dione
CID 2277127
4-[(5Z)-4-oxo-5-(quinoxalin-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid
CID 6226192
(5Z)-5-[(4-ethylphenyl)methylidene]-3-prop-2-ynyl-1,3-thiazolidine-2,4-dione
CID 1208945
5-[(4-ethylphenyl)methylidene]-3-prop-2-ynyl-1,3-thiazolidine-2,4-dione
CID 2915659
5-[(2-prop-2-ynoxynaphthalen-1-yl)methylidene]-3-prop-2-ynyl-1,3-thiazolidine-2,4-dione
CID 2913952
5-[(4-fluorophenyl)methylidene]-3-prop-2-ynyl-1,3-thiazolidine-2,4-dione
CID 1326915
(5Z)-5-(quinoxalin-2-ylmethylidene)-3-[[3-(3,4,5-trimethoxyphenyl)-1,2-oxazol-5-yl]methyl]-1,3-thiazolidine-2,4-dione
CID 171934311
5-[(1-phenylpyrrol-2-yl)methylidene]-3-prop-2-ynyl-1,3-thiazolidine-2,4-dione
CID 1334258
(5Z)-5-[[2-[(4-fluorophenyl)methoxy]phenyl]methylidene]-3-prop-2-ynyl-1,3-thiazolidine-2,4-dione
CID 6520419
(5E)-5-[[2-[(4-methylphenyl)methoxy]phenyl]methylidene]-3-prop-2-ynyl-1,3-thiazolidine-2,4-dione
CID 1332334
(5Z)-3-prop-2-ynyl-5-[(1-prop-2-ynylindol-3-yl)methylidene]-1,3-thiazolidine-2,4-dione
CID 1311554
(5E)-5-[[2-(naphthalen-1-ylmethoxy)phenyl]methylidene]-3-prop-2-ynyl-1,3-thiazolidine-2,4-dione
CID 2286969

Frequently Asked Questions

What is the IUPAC name of (5Z)-3-prop-2-ynyl-5-(quinoxalin-2-ylmethylidene)-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-3-prop-2-ynyl-5-(quinoxalin-2-ylmethylidene)-1,3-thiazolidine-2,4-dione (CID 171934188) is (5Z)-3-prop-2-ynyl-5-(quinoxalin-2-ylmethylidene)-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-3-prop-2-ynyl-5-(quinoxalin-2-ylmethylidene)-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-3-prop-2-ynyl-5-(quinoxalin-2-ylmethylidene)-1,3-thiazolidine-2,4-dione is C#CCN1C(=O)S/C(=C\c2cnc3ccccc3n2)C1=O.
What is the InChIKey of (5Z)-3-prop-2-ynyl-5-(quinoxalin-2-ylmethylidene)-1,3-thiazolidine-2,4-dione?
The InChIKey is PEBDTPLGMAZLBV-JYRVWZFOSA-N. The full InChI is InChI=1S/C15H9N3O2S/c1-2-7-18-14(19)13(21-15(18)20)8-10-9-16-11-5-3-4-6-12(11)17-10/h1,3-6,8-9H,7H2/b13-8-.
What are the key properties of (5Z)-3-prop-2-ynyl-5-(quinoxalin-2-ylmethylidene)-1,3-thiazolidine-2,4-dione?
(5Z)-3-prop-2-ynyl-5-(quinoxalin-2-ylmethylidene)-1,3-thiazolidine-2,4-dione has a molecular weight of 295.32 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3-prop-2-ynyl-5-(quinoxalin-2-ylmethylidene)-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 171934188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).