5-amino-3-benzoyl-2-sulfanylidene-1,3-thiazolidin-4-one

C10H8N2O2S2 — CID 139599892

IUPAC5-amino-3-benzoyl-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESNC1SC(=S)N(C(=O)c2ccccc2)C1=O
InChIInChI=1S/C10H8N2O2S2/c11-7-9(14)12(10(15)16-7)8(13)6-4-2-1-3-5-6/h1-5,7H,11H2
InChIKeyGSTWBLICTNECCH-UHFFFAOYSA-N
MW252.32 g/mol
LogP0.97
Rot. Bonds1

About 5-amino-3-benzoyl-2-sulfanylidene-1,3-thiazolidin-4-one

5-amino-3-benzoyl-2-sulfanylidene-1,3-thiazolidin-4-one (PubChem CID 139599892) has the molecular formula C10H8N2O2S2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 5-amino-3-benzoyl-2-sulfanylidene-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name5-amino-3-benzoyl-2-sulfanylidene-1,3-thiazolidin-4-one
PubChem CID139599892
Molecular FormulaC10H8N2O2S2
Molecular Weight252.32 g/mol
Exact Mass252.00
IUPAC Name5-amino-3-benzoyl-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESNC1SC(=S)N(C(=O)c2ccccc2)C1=O
InChIInChI=1S/C10H8N2O2S2/c11-7-9(14)12(10(15)16-7)8(13)6-4-2-1-3-5-6/h1-5,7H,11H2
InChIKeyGSTWBLICTNECCH-UHFFFAOYSA-N
XLogP0.97
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-benzoyl-2-sulfanylidene-1,3-thiazolidin-4-one?
The IUPAC name of 5-amino-3-benzoyl-2-sulfanylidene-1,3-thiazolidin-4-one (CID 139599892) is 5-amino-3-benzoyl-2-sulfanylidene-1,3-thiazolidin-4-one.
What is the SMILES notation for 5-amino-3-benzoyl-2-sulfanylidene-1,3-thiazolidin-4-one?
The canonical SMILES for 5-amino-3-benzoyl-2-sulfanylidene-1,3-thiazolidin-4-one is NC1SC(=S)N(C(=O)c2ccccc2)C1=O.
What is the InChIKey of 5-amino-3-benzoyl-2-sulfanylidene-1,3-thiazolidin-4-one?
The InChIKey is GSTWBLICTNECCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O2S2/c11-7-9(14)12(10(15)16-7)8(13)6-4-2-1-3-5-6/h1-5,7H,11H2.
What are the key properties of 5-amino-3-benzoyl-2-sulfanylidene-1,3-thiazolidin-4-one?
5-amino-3-benzoyl-2-sulfanylidene-1,3-thiazolidin-4-one has a molecular weight of 252.32 g/mol, XLogP of 0.97, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-benzoyl-2-sulfanylidene-1,3-thiazolidin-4-one is sourced from PubChem (CID 139599892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).