2-(3-methyl-5-sulfanylidene-1,3-thiazolidin-2-yl)acetic acid

C6H9NO2S2 — CID 57000569

IUPAC2-(3-methyl-5-sulfanylidene-1,3-thiazolidin-2-yl)acetic acid
SMILESCN1CC(=S)SC1CC(=O)O
InChIInChI=1S/C6H9NO2S2/c1-7-3-6(10)11-4(7)2-5(8)9/h4H,2-3H2,1H3,(H,8,9)
InChIKeyPJMWINFAPNKSFQ-UHFFFAOYSA-N
MW191.28 g/mol
LogP0.79
Rot. Bonds2

About 2-(3-methyl-5-sulfanylidene-1,3-thiazolidin-2-yl)acetic acid

2-(3-methyl-5-sulfanylidene-1,3-thiazolidin-2-yl)acetic acid (PubChem CID 57000569) has the molecular formula C6H9NO2S2 and a molecular weight of 191.28 g/mol. Its IUPAC name is 2-(3-methyl-5-sulfanylidene-1,3-thiazolidin-2-yl)acetic acid.

Molecular Properties

Compound Name2-(3-methyl-5-sulfanylidene-1,3-thiazolidin-2-yl)acetic acid
PubChem CID57000569
Molecular FormulaC6H9NO2S2
Molecular Weight191.28 g/mol
Exact Mass191.01
IUPAC Name2-(3-methyl-5-sulfanylidene-1,3-thiazolidin-2-yl)acetic acid
SMILESCN1CC(=S)SC1CC(=O)O
InChIInChI=1S/C6H9NO2S2/c1-7-3-6(10)11-4(7)2-5(8)9/h4H,2-3H2,1H3,(H,8,9)
InChIKeyPJMWINFAPNKSFQ-UHFFFAOYSA-N
XLogP0.79
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(3-methyl-5-sulfanylidene-1,3-thiazolidin-2-yl)acetic acid 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 2-(3-methyl-5-sulfanylidene-1,3-thiazolidin-2-yl)acetic acid?
The IUPAC name of 2-(3-methyl-5-sulfanylidene-1,3-thiazolidin-2-yl)acetic acid (CID 57000569) is 2-(3-methyl-5-sulfanylidene-1,3-thiazolidin-2-yl)acetic acid.
What is the SMILES notation for 2-(3-methyl-5-sulfanylidene-1,3-thiazolidin-2-yl)acetic acid?
The canonical SMILES for 2-(3-methyl-5-sulfanylidene-1,3-thiazolidin-2-yl)acetic acid is CN1CC(=S)SC1CC(=O)O.
What is the InChIKey of 2-(3-methyl-5-sulfanylidene-1,3-thiazolidin-2-yl)acetic acid?
The InChIKey is PJMWINFAPNKSFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO2S2/c1-7-3-6(10)11-4(7)2-5(8)9/h4H,2-3H2,1H3,(H,8,9).
What are the key properties of 2-(3-methyl-5-sulfanylidene-1,3-thiazolidin-2-yl)acetic acid?
2-(3-methyl-5-sulfanylidene-1,3-thiazolidin-2-yl)acetic acid has a molecular weight of 191.28 g/mol, XLogP of 0.79, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-5-sulfanylidene-1,3-thiazolidin-2-yl)acetic acid is sourced from PubChem (CID 57000569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).