5-methyl-5-[(5-phenylfuran-2-yl)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one

C15H13NO2S2 — CID 142277477

IUPAC5-methyl-5-[(5-phenylfuran-2-yl)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESCC1(Cc2ccc(-c3ccccc3)o2)SC(=S)NC1=O
InChIInChI=1S/C15H13NO2S2/c1-15(13(17)16-14(19)20-15)9-11-7-8-12(18-11)10-5-3-2-4-6-10/h2-8H,9H2,1H3,(H,16,17,19)
InChIKeyOCHXUSLESNGWIM-UHFFFAOYSA-N
MW303.41 g/mol
LogP3.40
Rot. Bonds3

About 5-methyl-5-[(5-phenylfuran-2-yl)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one

5-methyl-5-[(5-phenylfuran-2-yl)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one (PubChem CID 142277477) has the molecular formula C15H13NO2S2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 5-methyl-5-[(5-phenylfuran-2-yl)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name5-methyl-5-[(5-phenylfuran-2-yl)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one
PubChem CID142277477
Molecular FormulaC15H13NO2S2
Molecular Weight303.41 g/mol
Exact Mass303.04
IUPAC Name5-methyl-5-[(5-phenylfuran-2-yl)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESCC1(Cc2ccc(-c3ccccc3)o2)SC(=S)NC1=O
InChIInChI=1S/C15H13NO2S2/c1-15(13(17)16-14(19)20-15)9-11-7-8-12(18-11)10-5-3-2-4-6-10/h2-8H,9H2,1H3,(H,16,17,19)
InChIKeyOCHXUSLESNGWIM-UHFFFAOYSA-N
XLogP3.40
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 5-methyl-5-[(5-phenylfuran-2-yl)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one?
The IUPAC name of 5-methyl-5-[(5-phenylfuran-2-yl)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one (CID 142277477) is 5-methyl-5-[(5-phenylfuran-2-yl)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one.
What is the SMILES notation for 5-methyl-5-[(5-phenylfuran-2-yl)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one?
The canonical SMILES for 5-methyl-5-[(5-phenylfuran-2-yl)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one is CC1(Cc2ccc(-c3ccccc3)o2)SC(=S)NC1=O.
What is the InChIKey of 5-methyl-5-[(5-phenylfuran-2-yl)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one?
The InChIKey is OCHXUSLESNGWIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO2S2/c1-15(13(17)16-14(19)20-15)9-11-7-8-12(18-11)10-5-3-2-4-6-10/h2-8H,9H2,1H3,(H,16,17,19).
What are the key properties of 5-methyl-5-[(5-phenylfuran-2-yl)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one?
5-methyl-5-[(5-phenylfuran-2-yl)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one has a molecular weight of 303.41 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-5-[(5-phenylfuran-2-yl)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one is sourced from PubChem (CID 142277477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).