2-[2-(4-chlorophenyl)imino-3-propyl-1,3-thiazolidin-4-yl]propanoic acid

C15H19ClN2O2S — CID 70636349

IUPAC2-[2-(4-chlorophenyl)imino-3-propyl-1,3-thiazolidin-4-yl]propanoic acid
SMILESCCCN1/C(=N/c2ccc(Cl)cc2)SCC1C(C)C(=O)O
InChIInChI=1S/C15H19ClN2O2S/c1-3-8-18-13(10(2)14(19)20)9-21-15(18)17-12-6-4-11(16)5-7-12/h4-7,10,13H,3,8-9H2,1-2H3,(H,19,20)/b17-15-
InChIKeyZROBBEGTMREVCD-ICFOKQHNSA-N
MW326.85 g/mol
LogP3.88
Rot. Bonds5

About 2-[2-(4-chlorophenyl)imino-3-propyl-1,3-thiazolidin-4-yl]propanoic acid

2-[2-(4-chlorophenyl)imino-3-propyl-1,3-thiazolidin-4-yl]propanoic acid (PubChem CID 70636349) has the molecular formula C15H19ClN2O2S and a molecular weight of 326.85 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)imino-3-propyl-1,3-thiazolidin-4-yl]propanoic acid.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)imino-3-propyl-1,3-thiazolidin-4-yl]propanoic acid
PubChem CID70636349
Molecular FormulaC15H19ClN2O2S
Molecular Weight326.85 g/mol
Exact Mass326.09
IUPAC Name2-[2-(4-chlorophenyl)imino-3-propyl-1,3-thiazolidin-4-yl]propanoic acid
SMILESCCCN1/C(=N/c2ccc(Cl)cc2)SCC1C(C)C(=O)O
InChIInChI=1S/C15H19ClN2O2S/c1-3-8-18-13(10(2)14(19)20)9-21-15(18)17-12-6-4-11(16)5-7-12/h4-7,10,13H,3,8-9H2,1-2H3,(H,19,20)/b17-15-
InChIKeyZROBBEGTMREVCD-ICFOKQHNSA-N
XLogP3.88
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.85
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[2-(4-chlorophenyl)imino-3-propyl-1,3-thiazolidin-4-yl]propanoic acid 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-(p-Chlorophenyl)-2-(cyclopentylimino)-4-oxo-5-thiazolidineacetic acid
CID 217960
[(2z)-3-(4-Chlorophenyl)-2-(cyclohexylimino)-4-oxo-1,3-thiazolidin-5-yl]acetic acid
CID 217969
(Z)-methyl 2-(2-((4-chlorophenyl)imino)-3-ethyl-2
CID 1528687
2-[2-(2-Fluorophenyl)imino-3,5-dimethyl-1,3-thiazolidin-4-yl]butanoic acid
CID 70635112
2-[2-(2-Fluorophenyl)imino-3-prop-2-enyl-1,3-thiazolidin-4-yl]propanoic acid
CID 70635119
2-[2-(4-Fluorophenyl)imino-3-methyl-1,3-thiazolidin-4-yl]acetic acid
CID 70635625
2-[2-(2-Fluorophenyl)imino-3,5-dimethyl-1,3-thiazolidin-4-yl]propanoic acid
CID 70636312
N-(4-chlorophenyl)-N-(4,5-dihydro-4-oxo-2-thiazolyl)-beta-alanine
CID 129839704
ethyl (4R,5R)-3-butyl-2-(4-chlorophenyl)imino-4-methyl-1,3-thiazolidine-5-carboxylate
CID 138974626
2-[2-(3,5-Dichlorophenyl)imino-3,4-dimethyl-1,3-thiazol-5-yl]butanoic acid
CID 21439939
2-[2-(4-Chlorophenyl)imino-3,4-dimethyl-1,3-thiazol-5-yl]propanoic acid
CID 21439942
2-(3-Methyl-2-phenylimino-1,3-thiazol-4-yl)butanoic acid
CID 21439962

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)imino-3-propyl-1,3-thiazolidin-4-yl]propanoic acid?
The IUPAC name of 2-[2-(4-chlorophenyl)imino-3-propyl-1,3-thiazolidin-4-yl]propanoic acid (CID 70636349) is 2-[2-(4-chlorophenyl)imino-3-propyl-1,3-thiazolidin-4-yl]propanoic acid.
What is the SMILES notation for 2-[2-(4-chlorophenyl)imino-3-propyl-1,3-thiazolidin-4-yl]propanoic acid?
The canonical SMILES for 2-[2-(4-chlorophenyl)imino-3-propyl-1,3-thiazolidin-4-yl]propanoic acid is CCCN1/C(=N/c2ccc(Cl)cc2)SCC1C(C)C(=O)O.
What is the InChIKey of 2-[2-(4-chlorophenyl)imino-3-propyl-1,3-thiazolidin-4-yl]propanoic acid?
The InChIKey is ZROBBEGTMREVCD-ICFOKQHNSA-N. The full InChI is InChI=1S/C15H19ClN2O2S/c1-3-8-18-13(10(2)14(19)20)9-21-15(18)17-12-6-4-11(16)5-7-12/h4-7,10,13H,3,8-9H2,1-2H3,(H,19,20)/b17-15-.
What are the key properties of 2-[2-(4-chlorophenyl)imino-3-propyl-1,3-thiazolidin-4-yl]propanoic acid?
2-[2-(4-chlorophenyl)imino-3-propyl-1,3-thiazolidin-4-yl]propanoic acid has a molecular weight of 326.85 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)imino-3-propyl-1,3-thiazolidin-4-yl]propanoic acid is sourced from PubChem (CID 70636349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).