3-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-2-(5-methylfuran-2-yl)-1,3-thiazolidin-4-one

C18H24N2O3S2 — CID 4686422

About 3-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-2-(5-methylfuran-2-yl)-1,3-thiazolidin-4-one

3-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-2-(5-methylfuran-2-yl)-1,3-thiazolidin-4-one (PubChem CID 4686422) has the molecular formula C18H24N2O3S2 and a molecular weight of 380.54 g/mol. Its IUPAC name is 3-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-2-(5-methylfuran-2-yl)-1,3-thiazolidin-4-one.

Molecular Properties

• Compound Name: 3-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-2-(5-methylfuran-2-yl)-1,3-thiazolidin-4-one
• PubChem CID: 4686422
• Molecular Formula: C18H24N2O3S2
• Molecular Weight: 380.54 g/mol
• Exact Mass: 380.12
• IUPAC Name: 3-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-2-(5-methylfuran-2-yl)-1,3-thiazolidin-4-one
• SMILES: Cc1ccc(C2SCC(=O)N2CCSCc2ccc(CN(C)C)o2)o1
• InChI: InChI=1S/C18H24N2O3S2/c1-13-4-7-16(22-13)18-20(17(21)12-25-18)8-9-24-11-15-6-5-14(23-15)10-19(2)3/h4-7,18H,8-12H2,1-3H3
• InChIKey: HFOLCVAQMHSSSX-UHFFFAOYSA-N
• XLogP: 3.75
• TPSA: 49.83 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	380.54
LogP ≤ 5	3.75
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-2-(5-methylfuran-2-yl)-1,3-thiazolidin-4-one?

The IUPAC name of 3-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-2-(5-methylfuran-2-yl)-1,3-thiazolidin-4-one (CID 4686422) is 3-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-2-(5-methylfuran-2-yl)-1,3-thiazolidin-4-one.

What is the SMILES notation for 3-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-2-(5-methylfuran-2-yl)-1,3-thiazolidin-4-one?

The canonical SMILES for 3-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-2-(5-methylfuran-2-yl)-1,3-thiazolidin-4-one is Cc1ccc(C2SCC(=O)N2CCSCc2ccc(CN(C)C)o2)o1.

What is the InChIKey of 3-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-2-(5-methylfuran-2-yl)-1,3-thiazolidin-4-one?

The InChIKey is HFOLCVAQMHSSSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3S2/c1-13-4-7-16(22-13)18-20(17(21)12-25-18)8-9-24-11-15-6-5-14(23-15)10-19(2)3/h4-7,18H,8-12H2,1-3H3.

What are the key properties of 3-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-2-(5-methylfuran-2-yl)-1,3-thiazolidin-4-one?

3-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-2-(5-methylfuran-2-yl)-1,3-thiazolidin-4-one has a molecular weight of 380.54 g/mol, XLogP of 3.75, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-2-(5-methylfuran-2-yl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 4686422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).