1-[2-(sulfanylmethyl)-1,3-thiazolidin-3-yl]propan-1-one

C7H13NOS2 — CID 20648609

IUPAC1-[2-(sulfanylmethyl)-1,3-thiazolidin-3-yl]propan-1-one
SMILESCCC(=O)N1CCSC1CS
InChIInChI=1S/C7H13NOS2/c1-2-6(9)8-3-4-11-7(8)5-10/h7,10H,2-5H2,1H3
InChIKeyRJLWUCQKNAICQY-UHFFFAOYSA-N
MW191.32 g/mol
LogP1.23
Rot. Bonds2

About 1-[2-(sulfanylmethyl)-1,3-thiazolidin-3-yl]propan-1-one

1-[2-(sulfanylmethyl)-1,3-thiazolidin-3-yl]propan-1-one (PubChem CID 20648609) has the molecular formula C7H13NOS2 and a molecular weight of 191.32 g/mol. Its IUPAC name is 1-[2-(sulfanylmethyl)-1,3-thiazolidin-3-yl]propan-1-one.

Molecular Properties

Compound Name1-[2-(sulfanylmethyl)-1,3-thiazolidin-3-yl]propan-1-one
PubChem CID20648609
Molecular FormulaC7H13NOS2
Molecular Weight191.32 g/mol
Exact Mass191.04
IUPAC Name1-[2-(sulfanylmethyl)-1,3-thiazolidin-3-yl]propan-1-one
SMILESCCC(=O)N1CCSC1CS
InChIInChI=1S/C7H13NOS2/c1-2-6(9)8-3-4-11-7(8)5-10/h7,10H,2-5H2,1H3
InChIKeyRJLWUCQKNAICQY-UHFFFAOYSA-N
XLogP1.23
TPSA20.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 1-[2-(sulfanylmethyl)-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-[2-(sulfanylmethyl)-1,3-thiazolidin-3-yl]propan-1-one?
The IUPAC name of 1-[2-(sulfanylmethyl)-1,3-thiazolidin-3-yl]propan-1-one (CID 20648609) is 1-[2-(sulfanylmethyl)-1,3-thiazolidin-3-yl]propan-1-one.
What is the SMILES notation for 1-[2-(sulfanylmethyl)-1,3-thiazolidin-3-yl]propan-1-one?
The canonical SMILES for 1-[2-(sulfanylmethyl)-1,3-thiazolidin-3-yl]propan-1-one is CCC(=O)N1CCSC1CS.
What is the InChIKey of 1-[2-(sulfanylmethyl)-1,3-thiazolidin-3-yl]propan-1-one?
The InChIKey is RJLWUCQKNAICQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NOS2/c1-2-6(9)8-3-4-11-7(8)5-10/h7,10H,2-5H2,1H3.
What are the key properties of 1-[2-(sulfanylmethyl)-1,3-thiazolidin-3-yl]propan-1-one?
1-[2-(sulfanylmethyl)-1,3-thiazolidin-3-yl]propan-1-one has a molecular weight of 191.32 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(sulfanylmethyl)-1,3-thiazolidin-3-yl]propan-1-one is sourced from PubChem (CID 20648609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).