4-hydroxy-3-[3-(4-hydroxy-4,5-dimethyl-2-sulfanylidene-1,3-thiazolidin-3-yl)-2-methyl-5-propan-2-ylphenyl]-4,5-dimethyl-1,3-thiazolidine-2-thione

C20H28N2O2S4 — CID 10551787

About 4-hydroxy-3-[3-(4-hydroxy-4,5-dimethyl-2-sulfanylidene-1,3-thiazolidin-3-yl)-2-methyl-5-propan-2-ylphenyl]-4,5-dimethyl-1,3-thiazolidine-2-thione

4-hydroxy-3-[3-(4-hydroxy-4,5-dimethyl-2-sulfanylidene-1,3-thiazolidin-3-yl)-2-methyl-5-propan-2-ylphenyl]-4,5-dimethyl-1,3-thiazolidine-2-thione (PubChem CID 10551787) has the molecular formula C20H28N2O2S4 and a molecular weight of 456.72 g/mol. Its IUPAC name is 4-hydroxy-3-[3-(4-hydroxy-4,5-dimethyl-2-sulfanylidene-1,3-thiazolidin-3-yl)-2-methyl-5-propan-2-ylphenyl]-4,5-dimethyl-1,3-thiazolidine-2-thione.

Molecular Properties

• Compound Name: 4-hydroxy-3-[3-(4-hydroxy-4,5-dimethyl-2-sulfanylidene-1,3-thiazolidin-3-yl)-2-methyl-5-propan-2-ylphenyl]-4,5-dimethyl-1,3-thiazolidine-2-thione
• PubChem CID: 10551787
• Molecular Formula: C20H28N2O2S4
• Molecular Weight: 456.72 g/mol
• Exact Mass: 456.10
• IUPAC Name: 4-hydroxy-3-[3-(4-hydroxy-4,5-dimethyl-2-sulfanylidene-1,3-thiazolidin-3-yl)-2-methyl-5-propan-2-ylphenyl]-4,5-dimethyl-1,3-thiazolidine-2-thione
• SMILES: Cc1c(N2C(=S)SC(C)C2(C)O)cc(C(C)C)cc1N1C(=S)SC(C)C1(C)O
• InChI: InChI=1S/C20H28N2O2S4/c1-10(2)14-8-15(21-17(25)27-12(4)19(21,6)23)11(3)16(9-14)22-18(26)28-13(5)20(22,7)24/h8-10,12-13,23-24H,1-7H3
• InChIKey: CQLABQIAVDMWEE-UHFFFAOYSA-N
• XLogP: 4.99
• TPSA: 46.94 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	456.72
LogP ≤ 5	4.99
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-[3-(4-hydroxy-4,5-dimethyl-2-sulfanylidene-1,3-thiazolidin-3-yl)-2-methyl-5-propan-2-ylphenyl]-4,5-dimethyl-1,3-thiazolidine-2-thione?

The IUPAC name of 4-hydroxy-3-[3-(4-hydroxy-4,5-dimethyl-2-sulfanylidene-1,3-thiazolidin-3-yl)-2-methyl-5-propan-2-ylphenyl]-4,5-dimethyl-1,3-thiazolidine-2-thione (CID 10551787) is 4-hydroxy-3-[3-(4-hydroxy-4,5-dimethyl-2-sulfanylidene-1,3-thiazolidin-3-yl)-2-methyl-5-propan-2-ylphenyl]-4,5-dimethyl-1,3-thiazolidine-2-thione.

What is the SMILES notation for 4-hydroxy-3-[3-(4-hydroxy-4,5-dimethyl-2-sulfanylidene-1,3-thiazolidin-3-yl)-2-methyl-5-propan-2-ylphenyl]-4,5-dimethyl-1,3-thiazolidine-2-thione?

The canonical SMILES for 4-hydroxy-3-[3-(4-hydroxy-4,5-dimethyl-2-sulfanylidene-1,3-thiazolidin-3-yl)-2-methyl-5-propan-2-ylphenyl]-4,5-dimethyl-1,3-thiazolidine-2-thione is Cc1c(N2C(=S)SC(C)C2(C)O)cc(C(C)C)cc1N1C(=S)SC(C)C1(C)O.

What is the InChIKey of 4-hydroxy-3-[3-(4-hydroxy-4,5-dimethyl-2-sulfanylidene-1,3-thiazolidin-3-yl)-2-methyl-5-propan-2-ylphenyl]-4,5-dimethyl-1,3-thiazolidine-2-thione?

The InChIKey is CQLABQIAVDMWEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O2S4/c1-10(2)14-8-15(21-17(25)27-12(4)19(21,6)23)11(3)16(9-14)22-18(26)28-13(5)20(22,7)24/h8-10,12-13,23-24H,1-7H3.

What are the key properties of 4-hydroxy-3-[3-(4-hydroxy-4,5-dimethyl-2-sulfanylidene-1,3-thiazolidin-3-yl)-2-methyl-5-propan-2-ylphenyl]-4,5-dimethyl-1,3-thiazolidine-2-thione?

4-hydroxy-3-[3-(4-hydroxy-4,5-dimethyl-2-sulfanylidene-1,3-thiazolidin-3-yl)-2-methyl-5-propan-2-ylphenyl]-4,5-dimethyl-1,3-thiazolidine-2-thione has a molecular weight of 456.72 g/mol, XLogP of 4.99, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-hydroxy-3-[3-(4-hydroxy-4,5-dimethyl-2-sulfanylidene-1,3-thiazolidin-3-yl)-2-methyl-5-propan-2-ylphenyl]-4,5-dimethyl-1,3-thiazolidine-2-thione is sourced from PubChem (CID 10551787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).