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

C9H10N2O2S4 — CID 14365442

IUPAC3-[3-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)propyl]-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESO=C1CSC(=S)N1CCCN1C(=O)CSC1=S
InChIInChI=1S/C9H10N2O2S4/c12-6-4-16-8(14)10(6)2-1-3-11-7(13)5-17-9(11)15/h1-5H2
InChIKeyYGOORZRHUXFOLY-UHFFFAOYSA-N
MW306.46 g/mol
LogP1.10
Rot. Bonds4

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

3-[3-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)propyl]-2-sulfanylidene-1,3-thiazolidin-4-one (PubChem CID 14365442) has the molecular formula C9H10N2O2S4 and a molecular weight of 306.46 g/mol. Its IUPAC name is 3-[3-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)propyl]-2-sulfanylidene-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-[3-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)propyl]-2-sulfanylidene-1,3-thiazolidin-4-one
PubChem CID14365442
Molecular FormulaC9H10N2O2S4
Molecular Weight306.46 g/mol
Exact Mass305.96
IUPAC Name3-[3-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)propyl]-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESO=C1CSC(=S)N1CCCN1C(=O)CSC1=S
InChIInChI=1S/C9H10N2O2S4/c12-6-4-16-8(14)10(6)2-1-3-11-7(13)5-17-9(11)15/h1-5H2
InChIKeyYGOORZRHUXFOLY-UHFFFAOYSA-N
XLogP1.10
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.46
LogP ≤ 51.10
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'}

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Related Compounds

3-octyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 13321106
3-[3-(4-methylpiperazin-1-yl)propyl]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 154303812
CID 59696855
CID 59696855
3-[3-(diethylamino)propyl]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 53375713
2-sulfanylidene-3-[5-(2H-tetrazol-5-yl)pentyl]-1,3-thiazolidin-4-one
CID 58643266
3-[2-(4-hydroxyphenyl)ethyl]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 18593001
N-(4-methylphenyl)-5-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)pentanamide
CID 9411691
N'-[2-(1-adamantyl)acetyl]-5-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)pentanehydrazide
CID 9475103
4-fluoro-N'-[6-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)hexanoyl]benzohydrazide
CID 9340752
methyl 4-[5-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)pentanoylamino]benzoate
CID 9413559
6-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)-N-[(1S)-1-phenylethyl]hexanamide
CID 9315278
3-[(4-hydroxyphenyl)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 86047599

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)propyl]-2-sulfanylidene-1,3-thiazolidin-4-one?
The IUPAC name of 3-[3-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)propyl]-2-sulfanylidene-1,3-thiazolidin-4-one (CID 14365442) is 3-[3-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)propyl]-2-sulfanylidene-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-[3-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)propyl]-2-sulfanylidene-1,3-thiazolidin-4-one?
The canonical SMILES for 3-[3-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)propyl]-2-sulfanylidene-1,3-thiazolidin-4-one is O=C1CSC(=S)N1CCCN1C(=O)CSC1=S.
What is the InChIKey of 3-[3-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)propyl]-2-sulfanylidene-1,3-thiazolidin-4-one?
The InChIKey is YGOORZRHUXFOLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2S4/c12-6-4-16-8(14)10(6)2-1-3-11-7(13)5-17-9(11)15/h1-5H2.
What are the key properties of 3-[3-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)propyl]-2-sulfanylidene-1,3-thiazolidin-4-one?
3-[3-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)propyl]-2-sulfanylidene-1,3-thiazolidin-4-one has a molecular weight of 306.46 g/mol, XLogP of 1.10, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)propyl]-2-sulfanylidene-1,3-thiazolidin-4-one is sourced from PubChem (CID 14365442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).