5-[(4-butylphenyl)methyl]-2-(4-chlorophenyl)imino-1,3-thiazolidin-4-one

C20H21ClN2OS — CID 135707373

IUPAC5-[(4-butylphenyl)methyl]-2-(4-chlorophenyl)imino-1,3-thiazolidin-4-one
SMILESCCCCc1ccc(CC2S/C(=N\c3ccc(Cl)cc3)NC2=O)cc1
InChIInChI=1S/C20H21ClN2OS/c1-2-3-4-14-5-7-15(8-6-14)13-18-19(24)23-20(25-18)22-17-11-9-16(21)10-12-17/h5-12,18H,2-4,13H2,1H3,(H,22,23,24)
InChIKeyYGJOBEIZQKFBML-UHFFFAOYSA-N
MW372.92 g/mol
LogP5.14
Rot. Bonds6

About 5-[(4-butylphenyl)methyl]-2-(4-chlorophenyl)imino-1,3-thiazolidin-4-one

5-[(4-butylphenyl)methyl]-2-(4-chlorophenyl)imino-1,3-thiazolidin-4-one (PubChem CID 135707373) has the molecular formula C20H21ClN2OS and a molecular weight of 372.92 g/mol. Its IUPAC name is 5-[(4-butylphenyl)methyl]-2-(4-chlorophenyl)imino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name5-[(4-butylphenyl)methyl]-2-(4-chlorophenyl)imino-1,3-thiazolidin-4-one
PubChem CID135707373
Molecular FormulaC20H21ClN2OS
Molecular Weight372.92 g/mol
Exact Mass372.11
IUPAC Name5-[(4-butylphenyl)methyl]-2-(4-chlorophenyl)imino-1,3-thiazolidin-4-one
SMILESCCCCc1ccc(CC2S/C(=N\c3ccc(Cl)cc3)NC2=O)cc1
InChIInChI=1S/C20H21ClN2OS/c1-2-3-4-14-5-7-15(8-6-14)13-18-19(24)23-20(25-18)22-17-11-9-16(21)10-12-17/h5-12,18H,2-4,13H2,1H3,(H,22,23,24)
InChIKeyYGJOBEIZQKFBML-UHFFFAOYSA-N
XLogP5.14
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.92
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-[(4-butylphenyl)methyl]-2-(4-chlorophenyl)imino-1,3-thiazolidin-4-one 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

5-[(4-chlorophenyl)methyl]-2-(4-ethylphenyl)imino-1,3-thiazolidin-4-one
CID 135707402
2-(4-chlorophenyl)imino-5-[(4-ethoxyphenyl)methyl]-1,3-thiazolidin-4-one
CID 135446671
ethyl 4-[[2-(4-butylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]methyl]benzoate
CID 135501558
2-(4-butylphenyl)imino-5-methyl-1,3-thiazolidin-4-one
CID 135523652
(2E)-5-[(4-butylphenyl)methyl]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one
CID 135702273
5-[(4-butylphenyl)methyl]-2-[(6-methyl-2-pyridinyl)imino]-1,3-thiazolidin-4-one
CID 135499121
2-(4-methylphenyl)imino-5-[(4-propan-2-ylphenyl)methyl]-1,3-thiazolidin-4-one
CID 135707347
(5S)-5-benzyl-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one
CID 135760231
2-(4-fluorophenyl)imino-5-[(4-methoxyphenyl)methyl]-1,3-thiazolidin-4-one
CID 135455198
2-(4-butylphenyl)imino-5-[(4-chlorophenyl)methylidene]-1,3-thiazolidin-4-one
CID 135483163
(5S)-2-(4-chlorophenyl)imino-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one
CID 135555571
2-(4-chlorophenyl)imino-5-[(3-nitrophenyl)methyl]-1,3-thiazolidin-4-one
CID 86261402

Frequently Asked Questions

What is the IUPAC name of 5-[(4-butylphenyl)methyl]-2-(4-chlorophenyl)imino-1,3-thiazolidin-4-one?
The IUPAC name of 5-[(4-butylphenyl)methyl]-2-(4-chlorophenyl)imino-1,3-thiazolidin-4-one (CID 135707373) is 5-[(4-butylphenyl)methyl]-2-(4-chlorophenyl)imino-1,3-thiazolidin-4-one.
What is the SMILES notation for 5-[(4-butylphenyl)methyl]-2-(4-chlorophenyl)imino-1,3-thiazolidin-4-one?
The canonical SMILES for 5-[(4-butylphenyl)methyl]-2-(4-chlorophenyl)imino-1,3-thiazolidin-4-one is CCCCc1ccc(CC2S/C(=N\c3ccc(Cl)cc3)NC2=O)cc1.
What is the InChIKey of 5-[(4-butylphenyl)methyl]-2-(4-chlorophenyl)imino-1,3-thiazolidin-4-one?
The InChIKey is YGJOBEIZQKFBML-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2OS/c1-2-3-4-14-5-7-15(8-6-14)13-18-19(24)23-20(25-18)22-17-11-9-16(21)10-12-17/h5-12,18H,2-4,13H2,1H3,(H,22,23,24).
What are the key properties of 5-[(4-butylphenyl)methyl]-2-(4-chlorophenyl)imino-1,3-thiazolidin-4-one?
5-[(4-butylphenyl)methyl]-2-(4-chlorophenyl)imino-1,3-thiazolidin-4-one has a molecular weight of 372.92 g/mol, XLogP of 5.14, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-butylphenyl)methyl]-2-(4-chlorophenyl)imino-1,3-thiazolidin-4-one is sourced from PubChem (CID 135707373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).