methyl 2-[2-(2-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]acetate

C12H12ClNO3S — CID 139219614

IUPACmethyl 2-[2-(2-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]acetate
SMILESCOC(=O)CN1C(=O)CSC1c1ccccc1Cl
InChIInChI=1S/C12H12ClNO3S/c1-17-11(16)6-14-10(15)7-18-12(14)8-4-2-3-5-9(8)13/h2-5,12H,6-7H2,1H3
InChIKeyLYVARRAAUVWBFJ-UHFFFAOYSA-N
MW285.75 g/mol
LogP2.09
Rot. Bonds3

About methyl 2-[2-(2-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]acetate

methyl 2-[2-(2-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]acetate (PubChem CID 139219614) has the molecular formula C12H12ClNO3S and a molecular weight of 285.75 g/mol. Its IUPAC name is methyl 2-[2-(2-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-(2-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]acetate
PubChem CID139219614
Molecular FormulaC12H12ClNO3S
Molecular Weight285.75 g/mol
Exact Mass285.02
IUPAC Namemethyl 2-[2-(2-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]acetate
SMILESCOC(=O)CN1C(=O)CSC1c1ccccc1Cl
InChIInChI=1S/C12H12ClNO3S/c1-17-11(16)6-14-10(15)7-18-12(14)8-4-2-3-5-9(8)13/h2-5,12H,6-7H2,1H3
InChIKeyLYVARRAAUVWBFJ-UHFFFAOYSA-N
XLogP2.09
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.75
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 2-[2-(2-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]acetate 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 methyl 2-[2-(2-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]acetate?
The IUPAC name of methyl 2-[2-(2-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]acetate (CID 139219614) is methyl 2-[2-(2-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]acetate.
What is the SMILES notation for methyl 2-[2-(2-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]acetate?
The canonical SMILES for methyl 2-[2-(2-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]acetate is COC(=O)CN1C(=O)CSC1c1ccccc1Cl.
What is the InChIKey of methyl 2-[2-(2-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]acetate?
The InChIKey is LYVARRAAUVWBFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNO3S/c1-17-11(16)6-14-10(15)7-18-12(14)8-4-2-3-5-9(8)13/h2-5,12H,6-7H2,1H3.
What are the key properties of methyl 2-[2-(2-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]acetate?
methyl 2-[2-(2-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]acetate has a molecular weight of 285.75 g/mol, XLogP of 2.09, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(2-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]acetate is sourced from PubChem (CID 139219614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).