1-[(4S)-4-benzyl-2-sulfanylidene-1,3-thiazolidin-3-yl]propan-1-one

C13H15NOS2 — CID 11300079

IUPAC1-[(4S)-4-benzyl-2-sulfanylidene-1,3-thiazolidin-3-yl]propan-1-one
SMILESCCC(=O)N1C(=S)SC[C@@H]1Cc1ccccc1
InChIInChI=1S/C13H15NOS2/c1-2-12(15)14-11(9-17-13(14)16)8-10-6-4-3-5-7-10/h3-7,11H,2,8-9H2,1H3/t11-/m0/s1
InChIKeyZSVSIHWUEYQGRS-NSHDSACASA-N
MW265.40 g/mol
LogP2.87
Rot. Bonds3

About 1-[(4S)-4-benzyl-2-sulfanylidene-1,3-thiazolidin-3-yl]propan-1-one

1-[(4S)-4-benzyl-2-sulfanylidene-1,3-thiazolidin-3-yl]propan-1-one (PubChem CID 11300079) has the molecular formula C13H15NOS2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 1-[(4S)-4-benzyl-2-sulfanylidene-1,3-thiazolidin-3-yl]propan-1-one.

Molecular Properties

Compound Name1-[(4S)-4-benzyl-2-sulfanylidene-1,3-thiazolidin-3-yl]propan-1-one
PubChem CID11300079
Molecular FormulaC13H15NOS2
Molecular Weight265.40 g/mol
Exact Mass265.06
IUPAC Name1-[(4S)-4-benzyl-2-sulfanylidene-1,3-thiazolidin-3-yl]propan-1-one
SMILESCCC(=O)N1C(=S)SC[C@@H]1Cc1ccccc1
InChIInChI=1S/C13H15NOS2/c1-2-12(15)14-11(9-17-13(14)16)8-10-6-4-3-5-7-10/h3-7,11H,2,8-9H2,1H3/t11-/m0/s1
InChIKeyZSVSIHWUEYQGRS-NSHDSACASA-N
XLogP2.87
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 1-[(4S)-4-benzyl-2-sulfanylidene-1,3-thiazolidin-3-yl]propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(4S)-4-benzyl-2-sulfanylidene-1,3-thiazolidin-3-yl]propan-1-one?
The IUPAC name of 1-[(4S)-4-benzyl-2-sulfanylidene-1,3-thiazolidin-3-yl]propan-1-one (CID 11300079) is 1-[(4S)-4-benzyl-2-sulfanylidene-1,3-thiazolidin-3-yl]propan-1-one.
What is the SMILES notation for 1-[(4S)-4-benzyl-2-sulfanylidene-1,3-thiazolidin-3-yl]propan-1-one?
The canonical SMILES for 1-[(4S)-4-benzyl-2-sulfanylidene-1,3-thiazolidin-3-yl]propan-1-one is CCC(=O)N1C(=S)SC[C@@H]1Cc1ccccc1.
What is the InChIKey of 1-[(4S)-4-benzyl-2-sulfanylidene-1,3-thiazolidin-3-yl]propan-1-one?
The InChIKey is ZSVSIHWUEYQGRS-NSHDSACASA-N. The full InChI is InChI=1S/C13H15NOS2/c1-2-12(15)14-11(9-17-13(14)16)8-10-6-4-3-5-7-10/h3-7,11H,2,8-9H2,1H3/t11-/m0/s1.
What are the key properties of 1-[(4S)-4-benzyl-2-sulfanylidene-1,3-thiazolidin-3-yl]propan-1-one?
1-[(4S)-4-benzyl-2-sulfanylidene-1,3-thiazolidin-3-yl]propan-1-one has a molecular weight of 265.40 g/mol, XLogP of 2.87, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4S)-4-benzyl-2-sulfanylidene-1,3-thiazolidin-3-yl]propan-1-one is sourced from PubChem (CID 11300079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).