3-cyclopentyl-5-(3-cyclopentyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)-2-sulfanylidene-1,3-thiazolidin-4-one

C16H20N2O2S4 — CID 166610961

IUPAC3-cyclopentyl-5-(3-cyclopentyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESO=C1C(C2SC(=S)N(C3CCCC3)C2=O)SC(=S)N1C1CCCC1
InChIInChI=1S/C16H20N2O2S4/c19-13-11(23-15(21)17(13)9-5-1-2-6-9)12-14(20)18(16(22)24-12)10-7-3-4-8-10/h9-12H,1-8H2
InChIKeyXGZIZJSLDCKIPM-UHFFFAOYSA-N
MW400.62 g/mol
LogP3.33
Rot. Bonds3

About 3-cyclopentyl-5-(3-cyclopentyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)-2-sulfanylidene-1,3-thiazolidin-4-one

3-cyclopentyl-5-(3-cyclopentyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)-2-sulfanylidene-1,3-thiazolidin-4-one (PubChem CID 166610961) has the molecular formula C16H20N2O2S4 and a molecular weight of 400.62 g/mol. Its IUPAC name is 3-cyclopentyl-5-(3-cyclopentyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)-2-sulfanylidene-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-cyclopentyl-5-(3-cyclopentyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)-2-sulfanylidene-1,3-thiazolidin-4-one
PubChem CID166610961
Molecular FormulaC16H20N2O2S4
Molecular Weight400.62 g/mol
Exact Mass400.04
IUPAC Name3-cyclopentyl-5-(3-cyclopentyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESO=C1C(C2SC(=S)N(C3CCCC3)C2=O)SC(=S)N1C1CCCC1
InChIInChI=1S/C16H20N2O2S4/c19-13-11(23-15(21)17(13)9-5-1-2-6-9)12-14(20)18(16(22)24-12)10-7-3-4-8-10/h9-12H,1-8H2
InChIKeyXGZIZJSLDCKIPM-UHFFFAOYSA-N
XLogP3.33
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.62
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-cyclopentyl-5-(3-cyclopentyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)-2-sulfanylidene-1,3-thiazolidin-4-one with MolForge

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Related Compounds

5-(4-Oxo-3-propan-2-yl-2-sulfanylidene-1,3-thiazolidin-5-yl)-3-propan-2-yl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 165112005
5-(2-Oxo-2-pyrrolidin-1-ylethyl)-3-pentyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 71677747

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-5-(3-cyclopentyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)-2-sulfanylidene-1,3-thiazolidin-4-one?
The IUPAC name of 3-cyclopentyl-5-(3-cyclopentyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)-2-sulfanylidene-1,3-thiazolidin-4-one (CID 166610961) is 3-cyclopentyl-5-(3-cyclopentyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)-2-sulfanylidene-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-cyclopentyl-5-(3-cyclopentyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)-2-sulfanylidene-1,3-thiazolidin-4-one?
The canonical SMILES for 3-cyclopentyl-5-(3-cyclopentyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)-2-sulfanylidene-1,3-thiazolidin-4-one is O=C1C(C2SC(=S)N(C3CCCC3)C2=O)SC(=S)N1C1CCCC1.
What is the InChIKey of 3-cyclopentyl-5-(3-cyclopentyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)-2-sulfanylidene-1,3-thiazolidin-4-one?
The InChIKey is XGZIZJSLDCKIPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S4/c19-13-11(23-15(21)17(13)9-5-1-2-6-9)12-14(20)18(16(22)24-12)10-7-3-4-8-10/h9-12H,1-8H2.
What are the key properties of 3-cyclopentyl-5-(3-cyclopentyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)-2-sulfanylidene-1,3-thiazolidin-4-one?
3-cyclopentyl-5-(3-cyclopentyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)-2-sulfanylidene-1,3-thiazolidin-4-one has a molecular weight of 400.62 g/mol, XLogP of 3.33, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-5-(3-cyclopentyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)-2-sulfanylidene-1,3-thiazolidin-4-one is sourced from PubChem (CID 166610961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).