3-[(5R)-5-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoate

C7H8NO3S2- — CID 7344580

IUPAC3-[(5R)-5-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoate
SMILESC[C@H]1SC(=S)N(CCC(=O)[O-])C1=O
InChIInChI=1S/C7H9NO3S2/c1-4-6(11)8(7(12)13-4)3-2-5(9)10/h4H,2-3H2,1H3,(H,9,10)/p-1/t4-/m1/s1
InChIKeyAXJBXMCGSULBJF-SCSAIBSYSA-M
MW218.28 g/mol
LogP-0.62
Rot. Bonds3

About 3-[(5R)-5-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoate

3-[(5R)-5-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoate (PubChem CID 7344580) has the molecular formula C7H8NO3S2- and a molecular weight of 218.28 g/mol. Its IUPAC name is 3-[(5R)-5-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoate.

Molecular Properties

Compound Name3-[(5R)-5-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoate
PubChem CID7344580
Molecular FormulaC7H8NO3S2-
Molecular Weight218.28 g/mol
Exact Mass218.00
IUPAC Name3-[(5R)-5-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoate
SMILESC[C@H]1SC(=S)N(CCC(=O)[O-])C1=O
InChIInChI=1S/C7H9NO3S2/c1-4-6(11)8(7(12)13-4)3-2-5(9)10/h4H,2-3H2,1H3,(H,9,10)/p-1/t4-/m1/s1
InChIKeyAXJBXMCGSULBJF-SCSAIBSYSA-M
XLogP-0.62
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.28
LogP ≤ 5-0.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[(5R)-5-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoate with MolForge

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

Launch Full Analysis

Related Compounds

3-(5-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)propanoic acid
CID 4712804
N-cyclohexyl-6-(5-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)hexanamide
CID 17034044
2-(5-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)-N-propan-2-ylacetamide
CID 17033520
N-(3,5-dimethylphenyl)-6-(5-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)hexanamide
CID 17034031
N-(4-fluorophenyl)-6-(5-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)hexanamide
CID 17034017
N-(4-ethylphenyl)-6-(5-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)hexanamide
CID 17034025
N-(2-ethylphenyl)-4-(5-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)butanamide
CID 17033824
N-(2,6-dimethylphenyl)-6-(5-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)hexanamide
CID 17034058
6-(5-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)-N-(2-methylphenyl)hexanamide
CID 17034004
6-(5-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)-N-(4-propan-2-ylphenyl)hexanamide
CID 17034026
methyl 4-[4-(5-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)butanoylamino]benzoate
CID 17033858
N-(4-acetamidophenyl)-2-(5-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetamide
CID 17033488

Frequently Asked Questions

What is the IUPAC name of 3-[(5R)-5-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoate?
The IUPAC name of 3-[(5R)-5-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoate (CID 7344580) is 3-[(5R)-5-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoate.
What is the SMILES notation for 3-[(5R)-5-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoate?
The canonical SMILES for 3-[(5R)-5-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoate is C[C@H]1SC(=S)N(CCC(=O)[O-])C1=O.
What is the InChIKey of 3-[(5R)-5-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoate?
The InChIKey is AXJBXMCGSULBJF-SCSAIBSYSA-M. The full InChI is InChI=1S/C7H9NO3S2/c1-4-6(11)8(7(12)13-4)3-2-5(9)10/h4H,2-3H2,1H3,(H,9,10)/p-1/t4-/m1/s1.
What are the key properties of 3-[(5R)-5-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoate?
3-[(5R)-5-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoate has a molecular weight of 218.28 g/mol, XLogP of -0.62, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5R)-5-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoate is sourced from PubChem (CID 7344580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).