(5E)-5-[(4-pyridazin-3-ylquinolin-6-yl)methylidene]-1,3-thiazolidine-2,4-dione

C17H10N4O2S — CID 23658356

IUPAC(5E)-5-[(4-pyridazin-3-ylquinolin-6-yl)methylidene]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C\c2ccc3nccc(-c4cccnn4)c3c2)S1
InChIInChI=1S/C17H10N4O2S/c22-16-15(24-17(23)20-16)9-10-3-4-13-12(8-10)11(5-7-18-13)14-2-1-6-19-21-14/h1-9H,(H,20,22,23)/b15-9+
InChIKeyYFJUCUNTECRDLH-OQLLNIDSSA-N
MW334.36 g/mol
LogP3.02
Rot. Bonds2

About (5E)-5-[(4-pyridazin-3-ylquinolin-6-yl)methylidene]-1,3-thiazolidine-2,4-dione

(5E)-5-[(4-pyridazin-3-ylquinolin-6-yl)methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 23658356) has the molecular formula C17H10N4O2S and a molecular weight of 334.36 g/mol. Its IUPAC name is (5E)-5-[(4-pyridazin-3-ylquinolin-6-yl)methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-5-[(4-pyridazin-3-ylquinolin-6-yl)methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID23658356
Molecular FormulaC17H10N4O2S
Molecular Weight334.36 g/mol
Exact Mass334.05
IUPAC Name(5E)-5-[(4-pyridazin-3-ylquinolin-6-yl)methylidene]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C\c2ccc3nccc(-c4cccnn4)c3c2)S1
InChIInChI=1S/C17H10N4O2S/c22-16-15(24-17(23)20-16)9-10-3-4-13-12(8-10)11(5-7-18-13)14-2-1-6-19-21-14/h1-9H,(H,20,22,23)/b15-9+
InChIKeyYFJUCUNTECRDLH-OQLLNIDSSA-N
XLogP3.02
TPSA84.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.36
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (5E)-5-[(4-pyridazin-3-ylquinolin-6-yl)methylidene]-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

(5E)-5-[[4-(4-methylthiophen-3-yl)quinolin-6-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 25211751
(5Z)-5-[[4-(5-chlorothiophen-2-yl)quinolin-6-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 87656797
(5E)-5-[[4-(1-benzothiophen-2-yl)quinolin-6-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 25211645
(5Z)-5-[[4-[5-(2,6-dimethoxyphenyl)thiophen-2-yl]quinolin-6-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 25211749
(5E)-5-[[4-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl)quinolin-6-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 25211849
(5E)-5-[[4-[5-(3-methoxyphenyl)thiophen-2-yl]quinolin-6-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 25212048
(5E)-5-[[4-[5-(3-propan-2-yloxyphenyl)thiophen-2-yl]quinolin-6-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 25211748
(5E)-5-[[4-[5-[2-(3-hydroxyphenyl)ethynyl]thiophen-2-yl]quinolin-6-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 25212049
(5Z)-5-[(4-phenylquinazolin-6-yl)methylidene]-1,3-thiazolidine-2,4-dione
CID 11616947
5-[6-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]quinolin-4-yl]-N-(3-hydroxyphenyl)thiophene-2-carboxamide
CID 25211845
5-[[4-(furan-2-yl)quinazolin-6-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 74430618
2-(2,6-dichlorophenyl)imino-5-[(4-phenylquinolin-6-yl)methylidene]-1,3-thiazolidin-4-one
CID 136628070

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[(4-pyridazin-3-ylquinolin-6-yl)methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5E)-5-[(4-pyridazin-3-ylquinolin-6-yl)methylidene]-1,3-thiazolidine-2,4-dione (CID 23658356) is (5E)-5-[(4-pyridazin-3-ylquinolin-6-yl)methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5E)-5-[(4-pyridazin-3-ylquinolin-6-yl)methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5E)-5-[(4-pyridazin-3-ylquinolin-6-yl)methylidene]-1,3-thiazolidine-2,4-dione is O=C1NC(=O)/C(=C\c2ccc3nccc(-c4cccnn4)c3c2)S1.
What is the InChIKey of (5E)-5-[(4-pyridazin-3-ylquinolin-6-yl)methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is YFJUCUNTECRDLH-OQLLNIDSSA-N. The full InChI is InChI=1S/C17H10N4O2S/c22-16-15(24-17(23)20-16)9-10-3-4-13-12(8-10)11(5-7-18-13)14-2-1-6-19-21-14/h1-9H,(H,20,22,23)/b15-9+.
What are the key properties of (5E)-5-[(4-pyridazin-3-ylquinolin-6-yl)methylidene]-1,3-thiazolidine-2,4-dione?
(5E)-5-[(4-pyridazin-3-ylquinolin-6-yl)methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 334.36 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[(4-pyridazin-3-ylquinolin-6-yl)methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 23658356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).