(5Z)-5-[[3-(1H-indol-5-yl)-4-(2-morpholin-4-ylethoxy)phenyl]methylidene]-2-sulfanylidene-3-[3-(2H-tetrazol-5-yl)propyl]-1,3-thiazolidin-4-one

C28H29N7O3S2 — CID 58643377

About (5Z)-5-[[3-(1H-indol-5-yl)-4-(2-morpholin-4-ylethoxy)phenyl]methylidene]-2-sulfanylidene-3-[3-(2H-tetrazol-5-yl)propyl]-1,3-thiazolidin-4-one

(5Z)-5-[[3-(1H-indol-5-yl)-4-(2-morpholin-4-ylethoxy)phenyl]methylidene]-2-sulfanylidene-3-[3-(2H-tetrazol-5-yl)propyl]-1,3-thiazolidin-4-one (PubChem CID 58643377) has the molecular formula C28H29N7O3S2 and a molecular weight of 575.72 g/mol. Its IUPAC name is (5Z)-5-[[3-(1H-indol-5-yl)-4-(2-morpholin-4-ylethoxy)phenyl]methylidene]-2-sulfanylidene-3-[3-(2H-tetrazol-5-yl)propyl]-1,3-thiazolidin-4-one.

Molecular Properties

• Compound Name: (5Z)-5-[[3-(1H-indol-5-yl)-4-(2-morpholin-4-ylethoxy)phenyl]methylidene]-2-sulfanylidene-3-[3-(2H-tetrazol-5-yl)propyl]-1,3-thiazolidin-4-one
• PubChem CID: 58643377
• Molecular Formula: C28H29N7O3S2
• Molecular Weight: 575.72 g/mol
• Exact Mass: 575.18
• IUPAC Name: (5Z)-5-[[3-(1H-indol-5-yl)-4-(2-morpholin-4-ylethoxy)phenyl]methylidene]-2-sulfanylidene-3-[3-(2H-tetrazol-5-yl)propyl]-1,3-thiazolidin-4-one
• SMILES: O=C1/C(=C/c2ccc(OCCN3CCOCC3)c(-c3ccc4[nH]ccc4c3)c2)SC(=S)N1CCCc1nn[nH]n1
• InChI: InChI=1S/C28H29N7O3S2/c36-27-25(40-28(39)35(27)9-1-2-26-30-32-33-31-26)17-19-3-6-24(38-15-12-34-10-13-37-14-11-34)22(16-19)20-4-5-23-21(18-20)7-8-29-23/h3-8,16-18,29H,1-2,9-15H2,(H,30,31,32,33)/b25-17-
• InChIKey: MENGYRPPQMJCBU-UQQQWYQISA-N
• XLogP: 3.89
• TPSA: 112.26 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	575.72
LogP ≤ 5	3.89
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

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-[[3-(1H-indol-5-yl)-4-(2-morpholin-4-ylethoxy)phenyl]methylidene]-2-sulfanylidene-3-[3-(2H-tetrazol-5-yl)propyl]-1,3-thiazolidin-4-one?

The IUPAC name of (5Z)-5-[[3-(1H-indol-5-yl)-4-(2-morpholin-4-ylethoxy)phenyl]methylidene]-2-sulfanylidene-3-[3-(2H-tetrazol-5-yl)propyl]-1,3-thiazolidin-4-one (CID 58643377) is (5Z)-5-[[3-(1H-indol-5-yl)-4-(2-morpholin-4-ylethoxy)phenyl]methylidene]-2-sulfanylidene-3-[3-(2H-tetrazol-5-yl)propyl]-1,3-thiazolidin-4-one.

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

The canonical SMILES for (5Z)-5-[[3-(1H-indol-5-yl)-4-(2-morpholin-4-ylethoxy)phenyl]methylidene]-2-sulfanylidene-3-[3-(2H-tetrazol-5-yl)propyl]-1,3-thiazolidin-4-one is O=C1/C(=C/c2ccc(OCCN3CCOCC3)c(-c3ccc4[nH]ccc4c3)c2)SC(=S)N1CCCc1nn[nH]n1.

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

The InChIKey is MENGYRPPQMJCBU-UQQQWYQISA-N. The full InChI is InChI=1S/C28H29N7O3S2/c36-27-25(40-28(39)35(27)9-1-2-26-30-32-33-31-26)17-19-3-6-24(38-15-12-34-10-13-37-14-11-34)22(16-19)20-4-5-23-21(18-20)7-8-29-23/h3-8,16-18,29H,1-2,9-15H2,(H,30,31,32,33)/b25-17-.

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

(5Z)-5-[[3-(1H-indol-5-yl)-4-(2-morpholin-4-ylethoxy)phenyl]methylidene]-2-sulfanylidene-3-[3-(2H-tetrazol-5-yl)propyl]-1,3-thiazolidin-4-one has a molecular weight of 575.72 g/mol, XLogP of 3.89, 10 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (5Z)-5-[[3-(1H-indol-5-yl)-4-(2-morpholin-4-ylethoxy)phenyl]methylidene]-2-sulfanylidene-3-[3-(2H-tetrazol-5-yl)propyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 58643377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).