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

C19H26N2O2S4 — CID 10670891

IUPAC4-hydroxy-3-[5-(4-hydroxy-4,5-dimethyl-2-sulfanylidene-1,3-thiazolidin-3-yl)-2,3,4-trimethylphenyl]-4,5-dimethyl-1,3-thiazolidine-2-thione
SMILESCc1c(N2C(=S)SC(C)C2(C)O)cc(N2C(=S)SC(C)C2(C)O)c(C)c1C
InChIInChI=1S/C19H26N2O2S4/c1-9-10(2)14(20-16(24)26-12(4)18(20,6)22)8-15(11(9)3)21-17(25)27-13(5)19(21,7)23/h8,12-13,22-23H,1-7H3
InChIKeyPDISUCGCLVFXBA-UHFFFAOYSA-N
MW442.70 g/mol
LogP4.48
Rot. Bonds2

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

4-hydroxy-3-[5-(4-hydroxy-4,5-dimethyl-2-sulfanylidene-1,3-thiazolidin-3-yl)-2,3,4-trimethylphenyl]-4,5-dimethyl-1,3-thiazolidine-2-thione (PubChem CID 10670891) has the molecular formula C19H26N2O2S4 and a molecular weight of 442.70 g/mol. Its IUPAC name is 4-hydroxy-3-[5-(4-hydroxy-4,5-dimethyl-2-sulfanylidene-1,3-thiazolidin-3-yl)-2,3,4-trimethylphenyl]-4,5-dimethyl-1,3-thiazolidine-2-thione.

Molecular Properties

Compound Name4-hydroxy-3-[5-(4-hydroxy-4,5-dimethyl-2-sulfanylidene-1,3-thiazolidin-3-yl)-2,3,4-trimethylphenyl]-4,5-dimethyl-1,3-thiazolidine-2-thione
PubChem CID10670891
Molecular FormulaC19H26N2O2S4
Molecular Weight442.70 g/mol
Exact Mass442.09
IUPAC Name4-hydroxy-3-[5-(4-hydroxy-4,5-dimethyl-2-sulfanylidene-1,3-thiazolidin-3-yl)-2,3,4-trimethylphenyl]-4,5-dimethyl-1,3-thiazolidine-2-thione
SMILESCc1c(N2C(=S)SC(C)C2(C)O)cc(N2C(=S)SC(C)C2(C)O)c(C)c1C
InChIInChI=1S/C19H26N2O2S4/c1-9-10(2)14(20-16(24)26-12(4)18(20,6)22)8-15(11(9)3)21-17(25)27-13(5)19(21,7)23/h8,12-13,22-23H,1-7H3
InChIKeyPDISUCGCLVFXBA-UHFFFAOYSA-N
XLogP4.48
TPSA46.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.70
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-[5-(4-hydroxy-4,5-dimethyl-2-sulfanylidene-1,3-thiazolidin-3-yl)-2,3,4-trimethylphenyl]-4,5-dimethyl-1,3-thiazolidine-2-thione?
The IUPAC name of 4-hydroxy-3-[5-(4-hydroxy-4,5-dimethyl-2-sulfanylidene-1,3-thiazolidin-3-yl)-2,3,4-trimethylphenyl]-4,5-dimethyl-1,3-thiazolidine-2-thione (CID 10670891) is 4-hydroxy-3-[5-(4-hydroxy-4,5-dimethyl-2-sulfanylidene-1,3-thiazolidin-3-yl)-2,3,4-trimethylphenyl]-4,5-dimethyl-1,3-thiazolidine-2-thione.
What is the SMILES notation for 4-hydroxy-3-[5-(4-hydroxy-4,5-dimethyl-2-sulfanylidene-1,3-thiazolidin-3-yl)-2,3,4-trimethylphenyl]-4,5-dimethyl-1,3-thiazolidine-2-thione?
The canonical SMILES for 4-hydroxy-3-[5-(4-hydroxy-4,5-dimethyl-2-sulfanylidene-1,3-thiazolidin-3-yl)-2,3,4-trimethylphenyl]-4,5-dimethyl-1,3-thiazolidine-2-thione is Cc1c(N2C(=S)SC(C)C2(C)O)cc(N2C(=S)SC(C)C2(C)O)c(C)c1C.
What is the InChIKey of 4-hydroxy-3-[5-(4-hydroxy-4,5-dimethyl-2-sulfanylidene-1,3-thiazolidin-3-yl)-2,3,4-trimethylphenyl]-4,5-dimethyl-1,3-thiazolidine-2-thione?
The InChIKey is PDISUCGCLVFXBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2S4/c1-9-10(2)14(20-16(24)26-12(4)18(20,6)22)8-15(11(9)3)21-17(25)27-13(5)19(21,7)23/h8,12-13,22-23H,1-7H3.
What are the key properties of 4-hydroxy-3-[5-(4-hydroxy-4,5-dimethyl-2-sulfanylidene-1,3-thiazolidin-3-yl)-2,3,4-trimethylphenyl]-4,5-dimethyl-1,3-thiazolidine-2-thione?
4-hydroxy-3-[5-(4-hydroxy-4,5-dimethyl-2-sulfanylidene-1,3-thiazolidin-3-yl)-2,3,4-trimethylphenyl]-4,5-dimethyl-1,3-thiazolidine-2-thione has a molecular weight of 442.70 g/mol, XLogP of 4.48, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-[5-(4-hydroxy-4,5-dimethyl-2-sulfanylidene-1,3-thiazolidin-3-yl)-2,3,4-trimethylphenyl]-4,5-dimethyl-1,3-thiazolidine-2-thione is sourced from PubChem (CID 10670891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).