(5Z)-5-[[5-(3,4-difluorophenyl)-2-[2-(dimethylamino)ethoxy]phenyl]methylidene]-2-sulfanylidene-3-[3-(2H-tetrazol-5-yl)propyl]-1,3-thiazolidin-4-one

C24H24F2N6O2S2 — CID 58643105

About (5Z)-5-[[5-(3,4-difluorophenyl)-2-[2-(dimethylamino)ethoxy]phenyl]methylidene]-2-sulfanylidene-3-[3-(2H-tetrazol-5-yl)propyl]-1,3-thiazolidin-4-one

(5Z)-5-[[5-(3,4-difluorophenyl)-2-[2-(dimethylamino)ethoxy]phenyl]methylidene]-2-sulfanylidene-3-[3-(2H-tetrazol-5-yl)propyl]-1,3-thiazolidin-4-one (PubChem CID 58643105) has the molecular formula C24H24F2N6O2S2 and a molecular weight of 530.63 g/mol. Its IUPAC name is (5Z)-5-[[5-(3,4-difluorophenyl)-2-[2-(dimethylamino)ethoxy]phenyl]methylidene]-2-sulfanylidene-3-[3-(2H-tetrazol-5-yl)propyl]-1,3-thiazolidin-4-one.

Molecular Properties

• Compound Name: (5Z)-5-[[5-(3,4-difluorophenyl)-2-[2-(dimethylamino)ethoxy]phenyl]methylidene]-2-sulfanylidene-3-[3-(2H-tetrazol-5-yl)propyl]-1,3-thiazolidin-4-one
• PubChem CID: 58643105
• Molecular Formula: C24H24F2N6O2S2
• Molecular Weight: 530.63 g/mol
• Exact Mass: 530.14
• IUPAC Name: (5Z)-5-[[5-(3,4-difluorophenyl)-2-[2-(dimethylamino)ethoxy]phenyl]methylidene]-2-sulfanylidene-3-[3-(2H-tetrazol-5-yl)propyl]-1,3-thiazolidin-4-one
• SMILES: CN(C)CCOc1ccc(-c2ccc(F)c(F)c2)cc1/C=C1\SC(=S)N(CCCc2nn[nH]n2)C1=O
• InChI: InChI=1S/C24H24F2N6O2S2/c1-31(2)10-11-34-20-8-6-15(16-5-7-18(25)19(26)13-16)12-17(20)14-21-23(33)32(24(35)36-21)9-3-4-22-27-29-30-28-22/h5-8,12-14H,3-4,9-11H2,1-2H3,(H,27,28,29,30)/b21-14-
• InChIKey: WKMVDECASQRURW-STZFKDTASA-N
• XLogP: 3.92
• TPSA: 87.24 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	530.63
LogP ≤ 5	3.92
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

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-(3,4-difluorophenyl)-2-[2-(dimethylamino)ethoxy]phenyl]methylidene]-2-sulfanylidene-3-[3-(2H-tetrazol-5-yl)propyl]-1,3-thiazolidin-4-one?

The IUPAC name of (5Z)-5-[[5-(3,4-difluorophenyl)-2-[2-(dimethylamino)ethoxy]phenyl]methylidene]-2-sulfanylidene-3-[3-(2H-tetrazol-5-yl)propyl]-1,3-thiazolidin-4-one (CID 58643105) is (5Z)-5-[[5-(3,4-difluorophenyl)-2-[2-(dimethylamino)ethoxy]phenyl]methylidene]-2-sulfanylidene-3-[3-(2H-tetrazol-5-yl)propyl]-1,3-thiazolidin-4-one.

What is the SMILES notation for (5Z)-5-[[5-(3,4-difluorophenyl)-2-[2-(dimethylamino)ethoxy]phenyl]methylidene]-2-sulfanylidene-3-[3-(2H-tetrazol-5-yl)propyl]-1,3-thiazolidin-4-one?

The canonical SMILES for (5Z)-5-[[5-(3,4-difluorophenyl)-2-[2-(dimethylamino)ethoxy]phenyl]methylidene]-2-sulfanylidene-3-[3-(2H-tetrazol-5-yl)propyl]-1,3-thiazolidin-4-one is CN(C)CCOc1ccc(-c2ccc(F)c(F)c2)cc1/C=C1\SC(=S)N(CCCc2nn[nH]n2)C1=O.

What is the InChIKey of (5Z)-5-[[5-(3,4-difluorophenyl)-2-[2-(dimethylamino)ethoxy]phenyl]methylidene]-2-sulfanylidene-3-[3-(2H-tetrazol-5-yl)propyl]-1,3-thiazolidin-4-one?

The InChIKey is WKMVDECASQRURW-STZFKDTASA-N. The full InChI is InChI=1S/C24H24F2N6O2S2/c1-31(2)10-11-34-20-8-6-15(16-5-7-18(25)19(26)13-16)12-17(20)14-21-23(33)32(24(35)36-21)9-3-4-22-27-29-30-28-22/h5-8,12-14H,3-4,9-11H2,1-2H3,(H,27,28,29,30)/b21-14-.

What are the key properties of (5Z)-5-[[5-(3,4-difluorophenyl)-2-[2-(dimethylamino)ethoxy]phenyl]methylidene]-2-sulfanylidene-3-[3-(2H-tetrazol-5-yl)propyl]-1,3-thiazolidin-4-one?

(5Z)-5-[[5-(3,4-difluorophenyl)-2-[2-(dimethylamino)ethoxy]phenyl]methylidene]-2-sulfanylidene-3-[3-(2H-tetrazol-5-yl)propyl]-1,3-thiazolidin-4-one has a molecular weight of 530.63 g/mol, XLogP of 3.92, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (5Z)-5-[[5-(3,4-difluorophenyl)-2-[2-(dimethylamino)ethoxy]phenyl]methylidene]-2-sulfanylidene-3-[3-(2H-tetrazol-5-yl)propyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 58643105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).