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

C17H22N2O2S4 — CID 10669504

IUPAC4-hydroxy-3-[5-(4-hydroxy-4-methyl-2-sulfanylidene-1,3-thiazolidin-3-yl)-2,3,4-trimethylphenyl]-4-methyl-1,3-thiazolidine-2-thione
SMILESCc1c(N2C(=S)SCC2(C)O)cc(N2C(=S)SCC2(C)O)c(C)c1C
InChIInChI=1S/C17H22N2O2S4/c1-9-10(2)12(18-14(22)24-7-16(18,4)20)6-13(11(9)3)19-15(23)25-8-17(19,5)21/h6,20-21H,7-8H2,1-5H3
InChIKeyNDDDODKNHYQDTF-UHFFFAOYSA-N
MW414.64 g/mol
LogP3.71
Rot. Bonds2

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

4-hydroxy-3-[5-(4-hydroxy-4-methyl-2-sulfanylidene-1,3-thiazolidin-3-yl)-2,3,4-trimethylphenyl]-4-methyl-1,3-thiazolidine-2-thione (PubChem CID 10669504) has the molecular formula C17H22N2O2S4 and a molecular weight of 414.64 g/mol. Its IUPAC name is 4-hydroxy-3-[5-(4-hydroxy-4-methyl-2-sulfanylidene-1,3-thiazolidin-3-yl)-2,3,4-trimethylphenyl]-4-methyl-1,3-thiazolidine-2-thione.

Molecular Properties

Compound Name4-hydroxy-3-[5-(4-hydroxy-4-methyl-2-sulfanylidene-1,3-thiazolidin-3-yl)-2,3,4-trimethylphenyl]-4-methyl-1,3-thiazolidine-2-thione
PubChem CID10669504
Molecular FormulaC17H22N2O2S4
Molecular Weight414.64 g/mol
Exact Mass414.06
IUPAC Name4-hydroxy-3-[5-(4-hydroxy-4-methyl-2-sulfanylidene-1,3-thiazolidin-3-yl)-2,3,4-trimethylphenyl]-4-methyl-1,3-thiazolidine-2-thione
SMILESCc1c(N2C(=S)SCC2(C)O)cc(N2C(=S)SCC2(C)O)c(C)c1C
InChIInChI=1S/C17H22N2O2S4/c1-9-10(2)12(18-14(22)24-7-16(18,4)20)6-13(11(9)3)19-15(23)25-8-17(19,5)21/h6,20-21H,7-8H2,1-5H3
InChIKeyNDDDODKNHYQDTF-UHFFFAOYSA-N
XLogP3.71
TPSA46.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.64
LogP ≤ 53.71
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-methyl-2-sulfanylidene-1,3-thiazolidin-3-yl)-2,3,4-trimethylphenyl]-4-methyl-1,3-thiazolidine-2-thione?
The IUPAC name of 4-hydroxy-3-[5-(4-hydroxy-4-methyl-2-sulfanylidene-1,3-thiazolidin-3-yl)-2,3,4-trimethylphenyl]-4-methyl-1,3-thiazolidine-2-thione (CID 10669504) is 4-hydroxy-3-[5-(4-hydroxy-4-methyl-2-sulfanylidene-1,3-thiazolidin-3-yl)-2,3,4-trimethylphenyl]-4-methyl-1,3-thiazolidine-2-thione.
What is the SMILES notation for 4-hydroxy-3-[5-(4-hydroxy-4-methyl-2-sulfanylidene-1,3-thiazolidin-3-yl)-2,3,4-trimethylphenyl]-4-methyl-1,3-thiazolidine-2-thione?
The canonical SMILES for 4-hydroxy-3-[5-(4-hydroxy-4-methyl-2-sulfanylidene-1,3-thiazolidin-3-yl)-2,3,4-trimethylphenyl]-4-methyl-1,3-thiazolidine-2-thione is Cc1c(N2C(=S)SCC2(C)O)cc(N2C(=S)SCC2(C)O)c(C)c1C.
What is the InChIKey of 4-hydroxy-3-[5-(4-hydroxy-4-methyl-2-sulfanylidene-1,3-thiazolidin-3-yl)-2,3,4-trimethylphenyl]-4-methyl-1,3-thiazolidine-2-thione?
The InChIKey is NDDDODKNHYQDTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2S4/c1-9-10(2)12(18-14(22)24-7-16(18,4)20)6-13(11(9)3)19-15(23)25-8-17(19,5)21/h6,20-21H,7-8H2,1-5H3.
What are the key properties of 4-hydroxy-3-[5-(4-hydroxy-4-methyl-2-sulfanylidene-1,3-thiazolidin-3-yl)-2,3,4-trimethylphenyl]-4-methyl-1,3-thiazolidine-2-thione?
4-hydroxy-3-[5-(4-hydroxy-4-methyl-2-sulfanylidene-1,3-thiazolidin-3-yl)-2,3,4-trimethylphenyl]-4-methyl-1,3-thiazolidine-2-thione has a molecular weight of 414.64 g/mol, XLogP of 3.71, 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-methyl-2-sulfanylidene-1,3-thiazolidin-3-yl)-2,3,4-trimethylphenyl]-4-methyl-1,3-thiazolidine-2-thione is sourced from PubChem (CID 10669504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).