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

C12H12N2O2S4 — CID 165111931

IUPAC3-cyclopropyl-5-(3-cyclopropyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESO=C1C(C2SC(=S)N(C3CC3)C2=O)SC(=S)N1C1CC1
InChIInChI=1S/C12H12N2O2S4/c15-9-7(19-11(17)13(9)5-1-2-5)8-10(16)14(6-3-4-6)12(18)20-8/h5-8H,1-4H2
InChIKeySGWFDDGJWLSJGN-UHFFFAOYSA-N
MW344.51 g/mol
LogP1.77
Rot. Bonds3

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

3-cyclopropyl-5-(3-cyclopropyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)-2-sulfanylidene-1,3-thiazolidin-4-one (PubChem CID 165111931) has the molecular formula C12H12N2O2S4 and a molecular weight of 344.51 g/mol. Its IUPAC name is 3-cyclopropyl-5-(3-cyclopropyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)-2-sulfanylidene-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-cyclopropyl-5-(3-cyclopropyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)-2-sulfanylidene-1,3-thiazolidin-4-one
PubChem CID165111931
Molecular FormulaC12H12N2O2S4
Molecular Weight344.51 g/mol
Exact Mass343.98
IUPAC Name3-cyclopropyl-5-(3-cyclopropyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESO=C1C(C2SC(=S)N(C3CC3)C2=O)SC(=S)N1C1CC1
InChIInChI=1S/C12H12N2O2S4/c15-9-7(19-11(17)13(9)5-1-2-5)8-10(16)14(6-3-4-6)12(18)20-8/h5-8H,1-4H2
InChIKeySGWFDDGJWLSJGN-UHFFFAOYSA-N
XLogP1.77
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.51
LogP ≤ 51.77
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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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-(3-cyclopropyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)-2-sulfanylidene-1,3-thiazolidin-4-one?
The IUPAC name of 3-cyclopropyl-5-(3-cyclopropyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)-2-sulfanylidene-1,3-thiazolidin-4-one (CID 165111931) is 3-cyclopropyl-5-(3-cyclopropyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)-2-sulfanylidene-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-cyclopropyl-5-(3-cyclopropyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)-2-sulfanylidene-1,3-thiazolidin-4-one?
The canonical SMILES for 3-cyclopropyl-5-(3-cyclopropyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)-2-sulfanylidene-1,3-thiazolidin-4-one is O=C1C(C2SC(=S)N(C3CC3)C2=O)SC(=S)N1C1CC1.
What is the InChIKey of 3-cyclopropyl-5-(3-cyclopropyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)-2-sulfanylidene-1,3-thiazolidin-4-one?
The InChIKey is SGWFDDGJWLSJGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2S4/c15-9-7(19-11(17)13(9)5-1-2-5)8-10(16)14(6-3-4-6)12(18)20-8/h5-8H,1-4H2.
What are the key properties of 3-cyclopropyl-5-(3-cyclopropyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)-2-sulfanylidene-1,3-thiazolidin-4-one?
3-cyclopropyl-5-(3-cyclopropyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)-2-sulfanylidene-1,3-thiazolidin-4-one has a molecular weight of 344.51 g/mol, XLogP of 1.77, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-(3-cyclopropyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)-2-sulfanylidene-1,3-thiazolidin-4-one is sourced from PubChem (CID 165111931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).