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

C16H12ClFN2OS — CID 135455701

IUPAC5-[(3-chlorophenyl)methyl]-2-(4-fluorophenyl)imino-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N\c2ccc(F)cc2)SC1Cc1cccc(Cl)c1
InChIInChI=1S/C16H12ClFN2OS/c17-11-3-1-2-10(8-11)9-14-15(21)20-16(22-14)19-13-6-4-12(18)5-7-13/h1-8,14H,9H2,(H,19,20,21)
InChIKeyBZTBRQPKYGDZOX-UHFFFAOYSA-N
MW334.80 g/mol
LogP3.94
Rot. Bonds3

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

5-[(3-chlorophenyl)methyl]-2-(4-fluorophenyl)imino-1,3-thiazolidin-4-one (PubChem CID 135455701) has the molecular formula C16H12ClFN2OS and a molecular weight of 334.80 g/mol. Its IUPAC name is 5-[(3-chlorophenyl)methyl]-2-(4-fluorophenyl)imino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name5-[(3-chlorophenyl)methyl]-2-(4-fluorophenyl)imino-1,3-thiazolidin-4-one
PubChem CID135455701
Molecular FormulaC16H12ClFN2OS
Molecular Weight334.80 g/mol
Exact Mass334.03
IUPAC Name5-[(3-chlorophenyl)methyl]-2-(4-fluorophenyl)imino-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N\c2ccc(F)cc2)SC1Cc1cccc(Cl)c1
InChIInChI=1S/C16H12ClFN2OS/c17-11-3-1-2-10(8-11)9-14-15(21)20-16(22-14)19-13-6-4-12(18)5-7-13/h1-8,14H,9H2,(H,19,20,21)
InChIKeyBZTBRQPKYGDZOX-UHFFFAOYSA-N
XLogP3.94
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.80
LogP ≤ 53.94
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-(2-Chlorophenyl)imino-5-cyclopentyl-1,3-thiazolidin-4-one
CID 135989247
5-Cyclohexyl-2-(2-fluorophenyl)imino-1,3-thiazolidin-4-one
CID 135989258
2-(2-Chlorophenyl)imino-5-cyclohexyl-1,3-thiazolidin-4-one
CID 135989342
(E)-5-benzyl-2-(phenylimino)thiazolidin-4-one
CID 135406212
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
Thiazolidin-4-one, 5-(3-trifluoromethylbenzyl)-2-(4-methylphenylimino)-
CID 135404098
(E)-2-((4-chlorophenyl)imino)-5-(3-(trifluoromethyl)benzyl)thiazolidin-4-one
CID 135414745
2-((4-Chlorophenyl)imino)-5-(2-nitrobenzyl)-1,3-thiazolidin-4-one
CID 86261399
5-(4-Chlorobenzyl)-2-((4-chlorophenyl)imino)-1,3-thiazolidin-4-one
CID 135414218
2-(Phenylimino)-5-(3-(trifluoromethyl)benzyl)-1,3-thiazolidin-4-one
CID 135441318

Frequently Asked Questions

What is the IUPAC name of 5-[(3-chlorophenyl)methyl]-2-(4-fluorophenyl)imino-1,3-thiazolidin-4-one?
The IUPAC name of 5-[(3-chlorophenyl)methyl]-2-(4-fluorophenyl)imino-1,3-thiazolidin-4-one (CID 135455701) is 5-[(3-chlorophenyl)methyl]-2-(4-fluorophenyl)imino-1,3-thiazolidin-4-one.
What is the SMILES notation for 5-[(3-chlorophenyl)methyl]-2-(4-fluorophenyl)imino-1,3-thiazolidin-4-one?
The canonical SMILES for 5-[(3-chlorophenyl)methyl]-2-(4-fluorophenyl)imino-1,3-thiazolidin-4-one is O=C1N/C(=N\c2ccc(F)cc2)SC1Cc1cccc(Cl)c1.
What is the InChIKey of 5-[(3-chlorophenyl)methyl]-2-(4-fluorophenyl)imino-1,3-thiazolidin-4-one?
The InChIKey is BZTBRQPKYGDZOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClFN2OS/c17-11-3-1-2-10(8-11)9-14-15(21)20-16(22-14)19-13-6-4-12(18)5-7-13/h1-8,14H,9H2,(H,19,20,21).
What are the key properties of 5-[(3-chlorophenyl)methyl]-2-(4-fluorophenyl)imino-1,3-thiazolidin-4-one?
5-[(3-chlorophenyl)methyl]-2-(4-fluorophenyl)imino-1,3-thiazolidin-4-one has a molecular weight of 334.80 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-chlorophenyl)methyl]-2-(4-fluorophenyl)imino-1,3-thiazolidin-4-one is sourced from PubChem (CID 135455701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).