3-[10-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)decyl]-2-sulfanylidene-1,3-thiazolidin-4-one

C16H24N2O2S4 — CID 14365445

IUPAC3-[10-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)decyl]-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESO=C1CSC(=S)N1CCCCCCCCCCN1C(=O)CSC1=S
InChIInChI=1S/C16H24N2O2S4/c19-13-11-23-15(21)17(13)9-7-5-3-1-2-4-6-8-10-18-14(20)12-24-16(18)22/h1-12H2
InChIKeyFDTCTQZTWHUIRP-UHFFFAOYSA-N
MW404.65 g/mol
LogP3.83
Rot. Bonds11

About 3-[10-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)decyl]-2-sulfanylidene-1,3-thiazolidin-4-one

3-[10-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)decyl]-2-sulfanylidene-1,3-thiazolidin-4-one (PubChem CID 14365445) has the molecular formula C16H24N2O2S4 and a molecular weight of 404.65 g/mol. Its IUPAC name is 3-[10-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)decyl]-2-sulfanylidene-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-[10-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)decyl]-2-sulfanylidene-1,3-thiazolidin-4-one
PubChem CID14365445
Molecular FormulaC16H24N2O2S4
Molecular Weight404.65 g/mol
Exact Mass404.07
IUPAC Name3-[10-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)decyl]-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESO=C1CSC(=S)N1CCCCCCCCCCN1C(=O)CSC1=S
InChIInChI=1S/C16H24N2O2S4/c19-13-11-23-15(21)17(13)9-7-5-3-1-2-4-6-8-10-18-14(20)12-24-16(18)22/h1-12H2
InChIKeyFDTCTQZTWHUIRP-UHFFFAOYSA-N
XLogP3.83
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.65
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'rhod_sat_A(33)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[10-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)decyl]-2-sulfanylidene-1,3-thiazolidin-4-one?
The IUPAC name of 3-[10-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)decyl]-2-sulfanylidene-1,3-thiazolidin-4-one (CID 14365445) is 3-[10-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)decyl]-2-sulfanylidene-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-[10-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)decyl]-2-sulfanylidene-1,3-thiazolidin-4-one?
The canonical SMILES for 3-[10-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)decyl]-2-sulfanylidene-1,3-thiazolidin-4-one is O=C1CSC(=S)N1CCCCCCCCCCN1C(=O)CSC1=S.
What is the InChIKey of 3-[10-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)decyl]-2-sulfanylidene-1,3-thiazolidin-4-one?
The InChIKey is FDTCTQZTWHUIRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2S4/c19-13-11-23-15(21)17(13)9-7-5-3-1-2-4-6-8-10-18-14(20)12-24-16(18)22/h1-12H2.
What are the key properties of 3-[10-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)decyl]-2-sulfanylidene-1,3-thiazolidin-4-one?
3-[10-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)decyl]-2-sulfanylidene-1,3-thiazolidin-4-one has a molecular weight of 404.65 g/mol, XLogP of 3.83, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[10-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)decyl]-2-sulfanylidene-1,3-thiazolidin-4-one is sourced from PubChem (CID 14365445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).