10-[(5Z)-5-(furan-2-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]decanoic acid

C18H23NO4S2 — CID 27429325

About 10-[(5Z)-5-(furan-2-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]decanoic acid

10-[(5Z)-5-(furan-2-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]decanoic acid (PubChem CID 27429325) has the molecular formula C18H23NO4S2 and a molecular weight of 381.52 g/mol. Its IUPAC name is 10-[(5Z)-5-(furan-2-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]decanoic acid.

Molecular Properties

• Compound Name: 10-[(5Z)-5-(furan-2-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]decanoic acid
• PubChem CID: 27429325
• Molecular Formula: C18H23NO4S2
• Molecular Weight: 381.52 g/mol
• Exact Mass: 381.11
• IUPAC Name: 10-[(5Z)-5-(furan-2-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]decanoic acid
• SMILES: O=C(O)CCCCCCCCCN1C(=O)/C(=C/c2ccco2)SC1=S
• InChI: InChI=1S/C18H23NO4S2/c20-16(21)10-6-4-2-1-3-5-7-11-19-17(22)15(25-18(19)24)13-14-9-8-12-23-14/h8-9,12-13H,1-7,10-11H2,(H,20,21)/b15-13-
• InChIKey: RNPFYKQBKUIDBL-SQFISAMPSA-N
• XLogP: 4.69
• TPSA: 70.75 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 11
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	381.52
LogP ≤ 5	4.69
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'ene_rhod_A(235)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', '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 10-[(5Z)-5-(furan-2-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]decanoic acid?

The IUPAC name of 10-[(5Z)-5-(furan-2-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]decanoic acid (CID 27429325) is 10-[(5Z)-5-(furan-2-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]decanoic acid.

What is the SMILES notation for 10-[(5Z)-5-(furan-2-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]decanoic acid?

The canonical SMILES for 10-[(5Z)-5-(furan-2-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]decanoic acid is O=C(O)CCCCCCCCCN1C(=O)/C(=C/c2ccco2)SC1=S.

What is the InChIKey of 10-[(5Z)-5-(furan-2-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]decanoic acid?

The InChIKey is RNPFYKQBKUIDBL-SQFISAMPSA-N. The full InChI is InChI=1S/C18H23NO4S2/c20-16(21)10-6-4-2-1-3-5-7-11-19-17(22)15(25-18(19)24)13-14-9-8-12-23-14/h8-9,12-13H,1-7,10-11H2,(H,20,21)/b15-13-.

What are the key properties of 10-[(5Z)-5-(furan-2-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]decanoic acid?

10-[(5Z)-5-(furan-2-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]decanoic acid has a molecular weight of 381.52 g/mol, XLogP of 4.69, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 10-[(5Z)-5-(furan-2-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]decanoic acid is sourced from PubChem (CID 27429325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).