(5Z)-5-[(2-chloro-6-methylquinolin-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

C14H9ClN2OS2 — CID 39973901

IUPAC(5Z)-5-[(2-chloro-6-methylquinolin-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESCc1ccc2nc(Cl)c(/C=C3\SC(=S)NC3=O)cc2c1
InChIInChI=1S/C14H9ClN2OS2/c1-7-2-3-10-8(4-7)5-9(12(15)16-10)6-11-13(18)17-14(19)20-11/h2-6H,1H3,(H,17,18,19)/b11-6-
InChIKeyCZNJCRQWSCOQJP-WDZFZDKYSA-N
MW320.83 g/mol
LogP3.69
Rot. Bonds1

About (5Z)-5-[(2-chloro-6-methylquinolin-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

(5Z)-5-[(2-chloro-6-methylquinolin-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one (PubChem CID 39973901) has the molecular formula C14H9ClN2OS2 and a molecular weight of 320.83 g/mol. Its IUPAC name is (5Z)-5-[(2-chloro-6-methylquinolin-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-[(2-chloro-6-methylquinolin-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
PubChem CID39973901
Molecular FormulaC14H9ClN2OS2
Molecular Weight320.83 g/mol
Exact Mass319.98
IUPAC Name(5Z)-5-[(2-chloro-6-methylquinolin-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESCc1ccc2nc(Cl)c(/C=C3\SC(=S)NC3=O)cc2c1
InChIInChI=1S/C14H9ClN2OS2/c1-7-2-3-10-8(4-7)5-9(12(15)16-10)6-11-13(18)17-14(19)20-11/h2-6H,1H3,(H,17,18,19)/b11-6-
InChIKeyCZNJCRQWSCOQJP-WDZFZDKYSA-N
XLogP3.69
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 ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_rhod_A(235)', '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'}

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Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(2-chloro-6-methylquinolin-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-5-[(2-chloro-6-methylquinolin-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one (CID 39973901) is (5Z)-5-[(2-chloro-6-methylquinolin-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-5-[(2-chloro-6-methylquinolin-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-5-[(2-chloro-6-methylquinolin-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is Cc1ccc2nc(Cl)c(/C=C3\SC(=S)NC3=O)cc2c1.
What is the InChIKey of (5Z)-5-[(2-chloro-6-methylquinolin-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
The InChIKey is CZNJCRQWSCOQJP-WDZFZDKYSA-N. The full InChI is InChI=1S/C14H9ClN2OS2/c1-7-2-3-10-8(4-7)5-9(12(15)16-10)6-11-13(18)17-14(19)20-11/h2-6H,1H3,(H,17,18,19)/b11-6-.
What are the key properties of (5Z)-5-[(2-chloro-6-methylquinolin-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
(5Z)-5-[(2-chloro-6-methylquinolin-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one has a molecular weight of 320.83 g/mol, XLogP of 3.69, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(2-chloro-6-methylquinolin-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is sourced from PubChem (CID 39973901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).