(5Z)-5-[(7-methoxy-2H-chromen-3-yl)methylidene]-3-pyridin-3-yl-2-sulfanylidene-1,3-thiazolidin-4-one

C19H14N2O3S2 — CID 24604515

About (5Z)-5-[(7-methoxy-2H-chromen-3-yl)methylidene]-3-pyridin-3-yl-2-sulfanylidene-1,3-thiazolidin-4-one

(5Z)-5-[(7-methoxy-2H-chromen-3-yl)methylidene]-3-pyridin-3-yl-2-sulfanylidene-1,3-thiazolidin-4-one (PubChem CID 24604515) has the molecular formula C19H14N2O3S2 and a molecular weight of 382.47 g/mol. Its IUPAC name is (5Z)-5-[(7-methoxy-2H-chromen-3-yl)methylidene]-3-pyridin-3-yl-2-sulfanylidene-1,3-thiazolidin-4-one.

Molecular Properties

• Compound Name: (5Z)-5-[(7-methoxy-2H-chromen-3-yl)methylidene]-3-pyridin-3-yl-2-sulfanylidene-1,3-thiazolidin-4-one
• PubChem CID: 24604515
• Molecular Formula: C19H14N2O3S2
• Molecular Weight: 382.47 g/mol
• Exact Mass: 382.04
• IUPAC Name: (5Z)-5-[(7-methoxy-2H-chromen-3-yl)methylidene]-3-pyridin-3-yl-2-sulfanylidene-1,3-thiazolidin-4-one
• SMILES: COc1ccc2c(c1)OCC(/C=C1\SC(=S)N(c3cccnc3)C1=O)=C2
• InChI: InChI=1S/C19H14N2O3S2/c1-23-15-5-4-13-7-12(11-24-16(13)9-15)8-17-18(22)21(19(25)26-17)14-3-2-6-20-10-14/h2-10H,11H2,1H3/b17-8-
• InChIKey: PGCJSCQVBRVAEF-IUXPMGMMSA-N
• XLogP: 3.81
• TPSA: 51.66 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	382.47
LogP ≤ 5	3.81
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'ene_rhod_A(235)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(7-methoxy-2H-chromen-3-yl)methylidene]-3-pyridin-3-yl-2-sulfanylidene-1,3-thiazolidin-4-one?

The IUPAC name of (5Z)-5-[(7-methoxy-2H-chromen-3-yl)methylidene]-3-pyridin-3-yl-2-sulfanylidene-1,3-thiazolidin-4-one (CID 24604515) is (5Z)-5-[(7-methoxy-2H-chromen-3-yl)methylidene]-3-pyridin-3-yl-2-sulfanylidene-1,3-thiazolidin-4-one.

What is the SMILES notation for (5Z)-5-[(7-methoxy-2H-chromen-3-yl)methylidene]-3-pyridin-3-yl-2-sulfanylidene-1,3-thiazolidin-4-one?

The canonical SMILES for (5Z)-5-[(7-methoxy-2H-chromen-3-yl)methylidene]-3-pyridin-3-yl-2-sulfanylidene-1,3-thiazolidin-4-one is COc1ccc2c(c1)OCC(/C=C1\SC(=S)N(c3cccnc3)C1=O)=C2.

What is the InChIKey of (5Z)-5-[(7-methoxy-2H-chromen-3-yl)methylidene]-3-pyridin-3-yl-2-sulfanylidene-1,3-thiazolidin-4-one?

The InChIKey is PGCJSCQVBRVAEF-IUXPMGMMSA-N. The full InChI is InChI=1S/C19H14N2O3S2/c1-23-15-5-4-13-7-12(11-24-16(13)9-15)8-17-18(22)21(19(25)26-17)14-3-2-6-20-10-14/h2-10H,11H2,1H3/b17-8-.

What are the key properties of (5Z)-5-[(7-methoxy-2H-chromen-3-yl)methylidene]-3-pyridin-3-yl-2-sulfanylidene-1,3-thiazolidin-4-one?

(5Z)-5-[(7-methoxy-2H-chromen-3-yl)methylidene]-3-pyridin-3-yl-2-sulfanylidene-1,3-thiazolidin-4-one has a molecular weight of 382.47 g/mol, XLogP of 3.81, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (5Z)-5-[(7-methoxy-2H-chromen-3-yl)methylidene]-3-pyridin-3-yl-2-sulfanylidene-1,3-thiazolidin-4-one is sourced from PubChem (CID 24604515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).