5-cyclopentyl-2-(2,4-difluorophenyl)imino-1,3-thiazolidin-4-one

C14H14F2N2OS — CID 135989600

IUPAC5-cyclopentyl-2-(2,4-difluorophenyl)imino-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N\c2ccc(F)cc2F)SC1C1CCCC1
InChIInChI=1S/C14H14F2N2OS/c15-9-5-6-11(10(16)7-9)17-14-18-13(19)12(20-14)8-3-1-2-4-8/h5-8,12H,1-4H2,(H,17,18,19)
InChIKeyMSEMHKHXQDJLEA-UHFFFAOYSA-N
MW296.34 g/mol
LogP3.37
Rot. Bonds2

About 5-cyclopentyl-2-(2,4-difluorophenyl)imino-1,3-thiazolidin-4-one

5-cyclopentyl-2-(2,4-difluorophenyl)imino-1,3-thiazolidin-4-one (PubChem CID 135989600) has the molecular formula C14H14F2N2OS and a molecular weight of 296.34 g/mol. Its IUPAC name is 5-cyclopentyl-2-(2,4-difluorophenyl)imino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name5-cyclopentyl-2-(2,4-difluorophenyl)imino-1,3-thiazolidin-4-one
PubChem CID135989600
Molecular FormulaC14H14F2N2OS
Molecular Weight296.34 g/mol
Exact Mass296.08
IUPAC Name5-cyclopentyl-2-(2,4-difluorophenyl)imino-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N\c2ccc(F)cc2F)SC1C1CCCC1
InChIInChI=1S/C14H14F2N2OS/c15-9-5-6-11(10(16)7-9)17-14-18-13(19)12(20-14)8-3-1-2-4-8/h5-8,12H,1-4H2,(H,17,18,19)
InChIKeyMSEMHKHXQDJLEA-UHFFFAOYSA-N
XLogP3.37
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.34
LogP ≤ 53.37
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

5-cyclohexyl-2-cyclohexylimino-1,3-thiazolidin-4-one;ethane
CID 143468064
5-cyclohexyl-3-(2,4-difluorophenyl)imidazolidine-2,4-dione
CID 61016880
3-cycloheptyl-N-(2,4-difluorophenyl)-4-methyl-1,3-thiazol-2-imine
CID 23849634
3-(2,4-difluorophenyl)imino-1H-indol-2-one
CID 135473672
3-cyclopentyl-N-(2,4-difluorophenyl)-4-(4-nitrophenyl)-1,3-thiazol-2-imine
CID 23822632
3-cyclopentyl-4-(4-fluorophenyl)piperidine-2,6-dione
CID 115926974
N-(2,4-difluorophenyl)-2-[(5R)-2-(3,4-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135692014
2-(4-fluorophenyl)imino-5-phenyl-1,3-thiazolidin-4-one
CID 137292300
5-(3,4-dichlorophenyl)-N-(2,4-difluorophenyl)-3,6-dihydro-1,3,4-thiadiazin-2-imine
CID 135774952
2,4-difluoro-6a,7,7a,8,9,10,11,11a-octahydro-5H-indolo[1,2-a]quinoxalin-6-one
CID 115510048
N-(2,4-difluorophenyl)-2-[(5R)-2-(2,6-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135692172
N-(2,4-difluorophenyl)-5-(4-methyl-3-nitrophenyl)-3,6-dihydro-1,3,4-thiadiazin-2-imine
CID 135775089

Frequently Asked Questions

What is the IUPAC name of 5-cyclopentyl-2-(2,4-difluorophenyl)imino-1,3-thiazolidin-4-one?
The IUPAC name of 5-cyclopentyl-2-(2,4-difluorophenyl)imino-1,3-thiazolidin-4-one (CID 135989600) is 5-cyclopentyl-2-(2,4-difluorophenyl)imino-1,3-thiazolidin-4-one.
What is the SMILES notation for 5-cyclopentyl-2-(2,4-difluorophenyl)imino-1,3-thiazolidin-4-one?
The canonical SMILES for 5-cyclopentyl-2-(2,4-difluorophenyl)imino-1,3-thiazolidin-4-one is O=C1N/C(=N\c2ccc(F)cc2F)SC1C1CCCC1.
What is the InChIKey of 5-cyclopentyl-2-(2,4-difluorophenyl)imino-1,3-thiazolidin-4-one?
The InChIKey is MSEMHKHXQDJLEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N2OS/c15-9-5-6-11(10(16)7-9)17-14-18-13(19)12(20-14)8-3-1-2-4-8/h5-8,12H,1-4H2,(H,17,18,19).
What are the key properties of 5-cyclopentyl-2-(2,4-difluorophenyl)imino-1,3-thiazolidin-4-one?
5-cyclopentyl-2-(2,4-difluorophenyl)imino-1,3-thiazolidin-4-one has a molecular weight of 296.34 g/mol, XLogP of 3.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopentyl-2-(2,4-difluorophenyl)imino-1,3-thiazolidin-4-one is sourced from PubChem (CID 135989600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).