(5Z)-5-[[5-(2-chlorophenyl)thiophen-2-yl]methylidene]-3-pyridin-3-yl-2-sulfanylidene-1,3-thiazolidin-4-one

C19H11ClN2OS3 — CID 24656178

About (5Z)-5-[[5-(2-chlorophenyl)thiophen-2-yl]methylidene]-3-pyridin-3-yl-2-sulfanylidene-1,3-thiazolidin-4-one

(5Z)-5-[[5-(2-chlorophenyl)thiophen-2-yl]methylidene]-3-pyridin-3-yl-2-sulfanylidene-1,3-thiazolidin-4-one (PubChem CID 24656178) has the molecular formula C19H11ClN2OS3 and a molecular weight of 414.96 g/mol. Its IUPAC name is (5Z)-5-[[5-(2-chlorophenyl)thiophen-2-yl]methylidene]-3-pyridin-3-yl-2-sulfanylidene-1,3-thiazolidin-4-one.

Molecular Properties

• Compound Name: (5Z)-5-[[5-(2-chlorophenyl)thiophen-2-yl]methylidene]-3-pyridin-3-yl-2-sulfanylidene-1,3-thiazolidin-4-one
• PubChem CID: 24656178
• Molecular Formula: C19H11ClN2OS3
• Molecular Weight: 414.96 g/mol
• Exact Mass: 413.97
• IUPAC Name: (5Z)-5-[[5-(2-chlorophenyl)thiophen-2-yl]methylidene]-3-pyridin-3-yl-2-sulfanylidene-1,3-thiazolidin-4-one
• SMILES: O=C1/C(=C/c2ccc(-c3ccccc3Cl)s2)SC(=S)N1c1cccnc1
• InChI: InChI=1S/C19H11ClN2OS3/c20-15-6-2-1-5-14(15)16-8-7-13(25-16)10-17-18(23)22(19(24)26-17)12-4-3-9-21-11-12/h1-11H/b17-10-
• InChIKey: FVKGCWMOYXCRDE-YVLHZVERSA-N
• XLogP: 5.87
• TPSA: 33.20 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	414.96
LogP ≤ 5	5.87
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

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-[[5-(2-chlorophenyl)thiophen-2-yl]methylidene]-3-pyridin-3-yl-2-sulfanylidene-1,3-thiazolidin-4-one?

The IUPAC name of (5Z)-5-[[5-(2-chlorophenyl)thiophen-2-yl]methylidene]-3-pyridin-3-yl-2-sulfanylidene-1,3-thiazolidin-4-one (CID 24656178) is (5Z)-5-[[5-(2-chlorophenyl)thiophen-2-yl]methylidene]-3-pyridin-3-yl-2-sulfanylidene-1,3-thiazolidin-4-one.

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

The canonical SMILES for (5Z)-5-[[5-(2-chlorophenyl)thiophen-2-yl]methylidene]-3-pyridin-3-yl-2-sulfanylidene-1,3-thiazolidin-4-one is O=C1/C(=C/c2ccc(-c3ccccc3Cl)s2)SC(=S)N1c1cccnc1.

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

The InChIKey is FVKGCWMOYXCRDE-YVLHZVERSA-N. The full InChI is InChI=1S/C19H11ClN2OS3/c20-15-6-2-1-5-14(15)16-8-7-13(25-16)10-17-18(23)22(19(24)26-17)12-4-3-9-21-11-12/h1-11H/b17-10-.

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

(5Z)-5-[[5-(2-chlorophenyl)thiophen-2-yl]methylidene]-3-pyridin-3-yl-2-sulfanylidene-1,3-thiazolidin-4-one has a molecular weight of 414.96 g/mol, XLogP of 5.87, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (5Z)-5-[[5-(2-chlorophenyl)thiophen-2-yl]methylidene]-3-pyridin-3-yl-2-sulfanylidene-1,3-thiazolidin-4-one is sourced from PubChem (CID 24656178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).