5-[(2-chloro-7-methylquinolin-3-yl)methylidene]-4-sulfanylidene-1,3-thiazolidin-2-one

C14H9ClN2OS2 — CID 4975335

IUPAC5-[(2-chloro-7-methylquinolin-3-yl)methylidene]-4-sulfanylidene-1,3-thiazolidin-2-one
SMILESCc1ccc2cc(C=C3SC(=O)NC3=S)c(Cl)nc2c1
InChIInChI=1S/C14H9ClN2OS2/c1-7-2-3-8-5-9(12(15)16-10(8)4-7)6-11-13(19)17-14(18)20-11/h2-6H,1H3,(H,17,18,19)
InChIKeySKHCTAJCXWKSST-UHFFFAOYSA-N
MW320.83 g/mol
LogP4.32
Rot. Bonds1

About 5-[(2-chloro-7-methylquinolin-3-yl)methylidene]-4-sulfanylidene-1,3-thiazolidin-2-one

5-[(2-chloro-7-methylquinolin-3-yl)methylidene]-4-sulfanylidene-1,3-thiazolidin-2-one (PubChem CID 4975335) has the molecular formula C14H9ClN2OS2 and a molecular weight of 320.83 g/mol. Its IUPAC name is 5-[(2-chloro-7-methylquinolin-3-yl)methylidene]-4-sulfanylidene-1,3-thiazolidin-2-one.

Molecular Properties

Compound Name5-[(2-chloro-7-methylquinolin-3-yl)methylidene]-4-sulfanylidene-1,3-thiazolidin-2-one
PubChem CID4975335
Molecular FormulaC14H9ClN2OS2
Molecular Weight320.83 g/mol
Exact Mass319.98
IUPAC Name5-[(2-chloro-7-methylquinolin-3-yl)methylidene]-4-sulfanylidene-1,3-thiazolidin-2-one
SMILESCc1ccc2cc(C=C3SC(=O)NC3=S)c(Cl)nc2c1
InChIInChI=1S/C14H9ClN2OS2/c1-7-2-3-8-5-9(12(15)16-10(8)4-7)6-11-13(19)17-14(18)20-11/h2-6H,1H3,(H,17,18,19)
InChIKeySKHCTAJCXWKSST-UHFFFAOYSA-N
XLogP4.32
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.83
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_rhod_E(8)', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

Analyze 5-[(2-chloro-7-methylquinolin-3-yl)methylidene]-4-sulfanylidene-1,3-thiazolidin-2-one 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 5-[(2-chloro-7-methylquinolin-3-yl)methylidene]-4-sulfanylidene-1,3-thiazolidin-2-one?
The IUPAC name of 5-[(2-chloro-7-methylquinolin-3-yl)methylidene]-4-sulfanylidene-1,3-thiazolidin-2-one (CID 4975335) is 5-[(2-chloro-7-methylquinolin-3-yl)methylidene]-4-sulfanylidene-1,3-thiazolidin-2-one.
What is the SMILES notation for 5-[(2-chloro-7-methylquinolin-3-yl)methylidene]-4-sulfanylidene-1,3-thiazolidin-2-one?
The canonical SMILES for 5-[(2-chloro-7-methylquinolin-3-yl)methylidene]-4-sulfanylidene-1,3-thiazolidin-2-one is Cc1ccc2cc(C=C3SC(=O)NC3=S)c(Cl)nc2c1.
What is the InChIKey of 5-[(2-chloro-7-methylquinolin-3-yl)methylidene]-4-sulfanylidene-1,3-thiazolidin-2-one?
The InChIKey is SKHCTAJCXWKSST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClN2OS2/c1-7-2-3-8-5-9(12(15)16-10(8)4-7)6-11-13(19)17-14(18)20-11/h2-6H,1H3,(H,17,18,19).
What are the key properties of 5-[(2-chloro-7-methylquinolin-3-yl)methylidene]-4-sulfanylidene-1,3-thiazolidin-2-one?
5-[(2-chloro-7-methylquinolin-3-yl)methylidene]-4-sulfanylidene-1,3-thiazolidin-2-one has a molecular weight of 320.83 g/mol, XLogP of 4.32, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chloro-7-methylquinolin-3-yl)methylidene]-4-sulfanylidene-1,3-thiazolidin-2-one is sourced from PubChem (CID 4975335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).