2-[2-(3,5-dichlorophenyl)imino-3,5-dimethyl-1,3-thiazolidin-4-yl]acetic acid

C13H14Cl2N2O2S — CID 70635786

IUPAC2-[2-(3,5-dichlorophenyl)imino-3,5-dimethyl-1,3-thiazolidin-4-yl]acetic acid
SMILESCC1S/C(=N\c2cc(Cl)cc(Cl)c2)N(C)C1CC(=O)O
InChIInChI=1S/C13H14Cl2N2O2S/c1-7-11(6-12(18)19)17(2)13(20-7)16-10-4-8(14)3-9(15)5-10/h3-5,7,11H,6H2,1-2H3,(H,18,19)/b16-13-
InChIKeyDYWFDAJFGDPHCQ-SSZFMOIBSA-N
MW333.24 g/mol
LogP3.89
Rot. Bonds3

About 2-[2-(3,5-dichlorophenyl)imino-3,5-dimethyl-1,3-thiazolidin-4-yl]acetic acid

2-[2-(3,5-dichlorophenyl)imino-3,5-dimethyl-1,3-thiazolidin-4-yl]acetic acid (PubChem CID 70635786) has the molecular formula C13H14Cl2N2O2S and a molecular weight of 333.24 g/mol. Its IUPAC name is 2-[2-(3,5-dichlorophenyl)imino-3,5-dimethyl-1,3-thiazolidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(3,5-dichlorophenyl)imino-3,5-dimethyl-1,3-thiazolidin-4-yl]acetic acid
PubChem CID70635786
Molecular FormulaC13H14Cl2N2O2S
Molecular Weight333.24 g/mol
Exact Mass332.02
IUPAC Name2-[2-(3,5-dichlorophenyl)imino-3,5-dimethyl-1,3-thiazolidin-4-yl]acetic acid
SMILESCC1S/C(=N\c2cc(Cl)cc(Cl)c2)N(C)C1CC(=O)O
InChIInChI=1S/C13H14Cl2N2O2S/c1-7-11(6-12(18)19)17(2)13(20-7)16-10-4-8(14)3-9(15)5-10/h3-5,7,11H,6H2,1-2H3,(H,18,19)/b16-13-
InChIKeyDYWFDAJFGDPHCQ-SSZFMOIBSA-N
XLogP3.89
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.24
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 2-[2-(3,5-dichlorophenyl)imino-3,5-dimethyl-1,3-thiazolidin-4-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-[2-(3,5-dichlorophenyl)imino-3,5-dimethyl-1,3-thiazolidin-4-yl]acetic acid?
The IUPAC name of 2-[2-(3,5-dichlorophenyl)imino-3,5-dimethyl-1,3-thiazolidin-4-yl]acetic acid (CID 70635786) is 2-[2-(3,5-dichlorophenyl)imino-3,5-dimethyl-1,3-thiazolidin-4-yl]acetic acid.
What is the SMILES notation for 2-[2-(3,5-dichlorophenyl)imino-3,5-dimethyl-1,3-thiazolidin-4-yl]acetic acid?
The canonical SMILES for 2-[2-(3,5-dichlorophenyl)imino-3,5-dimethyl-1,3-thiazolidin-4-yl]acetic acid is CC1S/C(=N\c2cc(Cl)cc(Cl)c2)N(C)C1CC(=O)O.
What is the InChIKey of 2-[2-(3,5-dichlorophenyl)imino-3,5-dimethyl-1,3-thiazolidin-4-yl]acetic acid?
The InChIKey is DYWFDAJFGDPHCQ-SSZFMOIBSA-N. The full InChI is InChI=1S/C13H14Cl2N2O2S/c1-7-11(6-12(18)19)17(2)13(20-7)16-10-4-8(14)3-9(15)5-10/h3-5,7,11H,6H2,1-2H3,(H,18,19)/b16-13-.
What are the key properties of 2-[2-(3,5-dichlorophenyl)imino-3,5-dimethyl-1,3-thiazolidin-4-yl]acetic acid?
2-[2-(3,5-dichlorophenyl)imino-3,5-dimethyl-1,3-thiazolidin-4-yl]acetic acid has a molecular weight of 333.24 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,5-dichlorophenyl)imino-3,5-dimethyl-1,3-thiazolidin-4-yl]acetic acid is sourced from PubChem (CID 70635786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).