5-benzyl-2-(4-chlorophenyl)imino-1,3-thiazolidin-4-one

C16H13ClN2OS — CID 135414149

IUPAC5-benzyl-2-(4-chlorophenyl)imino-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N/c2ccc(Cl)cc2)SC1Cc1ccccc1
InChIInChI=1S/C16H13ClN2OS/c17-12-6-8-13(9-7-12)18-16-19-15(20)14(21-16)10-11-4-2-1-3-5-11/h1-9,14H,10H2,(H,18,19,20)
InChIKeyGVEAYMMCIZSWDL-UHFFFAOYSA-N
MW316.81 g/mol
LogP3.80
Rot. Bonds3

About 5-benzyl-2-(4-chlorophenyl)imino-1,3-thiazolidin-4-one

5-benzyl-2-(4-chlorophenyl)imino-1,3-thiazolidin-4-one (PubChem CID 135414149) has the molecular formula C16H13ClN2OS and a molecular weight of 316.81 g/mol. Its IUPAC name is 5-benzyl-2-(4-chlorophenyl)imino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name5-benzyl-2-(4-chlorophenyl)imino-1,3-thiazolidin-4-one
PubChem CID135414149
Molecular FormulaC16H13ClN2OS
Molecular Weight316.81 g/mol
Exact Mass316.04
IUPAC Name5-benzyl-2-(4-chlorophenyl)imino-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N/c2ccc(Cl)cc2)SC1Cc1ccccc1
InChIInChI=1S/C16H13ClN2OS/c17-12-6-8-13(9-7-12)18-16-19-15(20)14(21-16)10-11-4-2-1-3-5-11/h1-9,14H,10H2,(H,18,19,20)
InChIKeyGVEAYMMCIZSWDL-UHFFFAOYSA-N
XLogP3.80
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.81
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(5-benzyl-4-hydroxy-6-oxo-1,6-dihydro-2-pyrimidinyl)thio]-N-(4-chlorophenyl)propanamide
CID 2945339
2-(2-Chlorophenyl)imino-5-cyclopentyl-1,3-thiazolidin-4-one
CID 135989247
2-(2-Chlorophenyl)imino-5-cyclohexyl-1,3-thiazolidin-4-one
CID 135989342
2-(2-Chlorophenyl)imino-5-propan-2-yl-1,3-thiazolidin-4-one
CID 135989432
(E)-5-benzyl-2-(phenylimino)thiazolidin-4-one
CID 135406212
N-(4-Chloro-phenyl)-2-(5-cyclohexyl-4-hydroxy-6-oxo-1,6-dihydro-pyrimidin-2-ylsulfanyl)-acetamide
CID 650317
2-[(4-amino-6-oxo-5-phenyl-1,6-dihydro-2-pyrimidinyl)thio]-N-(4-chlorophenyl)acetamide
CID 135455134
2-(4-Chloroanilino)-5-[(2,3-dichlorophenyl)methyl]-4-thiazolone
CID 135517128
(E)-5-(4-fluorobenzyl)-2-((4-fluorophenyl)imino)thiazolidin-4-one
CID 135473286
5-(2,3-Dichloro-benzyl)-2-phenylimino-thiazolidin-4-one
CID 135414121
2-(3-chlorophenylamino)-5-(2-methyl-3-phenylallylidene)thiazol-4(5H)-one
CID 135665679
2-(2-chlorophenylamino)-5-(2-methyl-3-phenylallylidene)thiazol-4(5H)-one
CID 135700427

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-2-(4-chlorophenyl)imino-1,3-thiazolidin-4-one?
The IUPAC name of 5-benzyl-2-(4-chlorophenyl)imino-1,3-thiazolidin-4-one (CID 135414149) is 5-benzyl-2-(4-chlorophenyl)imino-1,3-thiazolidin-4-one.
What is the SMILES notation for 5-benzyl-2-(4-chlorophenyl)imino-1,3-thiazolidin-4-one?
The canonical SMILES for 5-benzyl-2-(4-chlorophenyl)imino-1,3-thiazolidin-4-one is O=C1N/C(=N/c2ccc(Cl)cc2)SC1Cc1ccccc1.
What is the InChIKey of 5-benzyl-2-(4-chlorophenyl)imino-1,3-thiazolidin-4-one?
The InChIKey is GVEAYMMCIZSWDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2OS/c17-12-6-8-13(9-7-12)18-16-19-15(20)14(21-16)10-11-4-2-1-3-5-11/h1-9,14H,10H2,(H,18,19,20).
What are the key properties of 5-benzyl-2-(4-chlorophenyl)imino-1,3-thiazolidin-4-one?
5-benzyl-2-(4-chlorophenyl)imino-1,3-thiazolidin-4-one has a molecular weight of 316.81 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-2-(4-chlorophenyl)imino-1,3-thiazolidin-4-one is sourced from PubChem (CID 135414149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).