N-(4-fluorophenyl)-2-[4-oxo-2-phenylimino-3-(2-pyridin-2-ylethyl)-1,3-thiazolidin-5-yl]acetamide

C24H21FN4O2S — CID 3997490

IUPACN-(4-fluorophenyl)-2-[4-oxo-2-phenylimino-3-(2-pyridin-2-ylethyl)-1,3-thiazolidin-5-yl]acetamide
SMILESO=C(CC1S/C(=N\c2ccccc2)N(CCc2ccccn2)C1=O)Nc1ccc(F)cc1
InChIInChI=1S/C24H21FN4O2S/c25-17-9-11-20(12-10-17)27-22(30)16-21-23(31)29(15-13-18-6-4-5-14-26-18)24(32-21)28-19-7-2-1-3-8-19/h1-12,14,21H,13,15-16H2,(H,27,30)/b28-24-
InChIKeyVUNIVJAODXKIQZ-COOPMVRXSA-N
MW448.52 g/mol
LogP4.42
Rot. Bonds7

About N-(4-fluorophenyl)-2-[4-oxo-2-phenylimino-3-(2-pyridin-2-ylethyl)-1,3-thiazolidin-5-yl]acetamide

N-(4-fluorophenyl)-2-[4-oxo-2-phenylimino-3-(2-pyridin-2-ylethyl)-1,3-thiazolidin-5-yl]acetamide (PubChem CID 3997490) has the molecular formula C24H21FN4O2S and a molecular weight of 448.52 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[4-oxo-2-phenylimino-3-(2-pyridin-2-ylethyl)-1,3-thiazolidin-5-yl]acetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[4-oxo-2-phenylimino-3-(2-pyridin-2-ylethyl)-1,3-thiazolidin-5-yl]acetamide
PubChem CID3997490
Molecular FormulaC24H21FN4O2S
Molecular Weight448.52 g/mol
Exact Mass448.14
IUPAC NameN-(4-fluorophenyl)-2-[4-oxo-2-phenylimino-3-(2-pyridin-2-ylethyl)-1,3-thiazolidin-5-yl]acetamide
SMILESO=C(CC1S/C(=N\c2ccccc2)N(CCc2ccccn2)C1=O)Nc1ccc(F)cc1
InChIInChI=1S/C24H21FN4O2S/c25-17-9-11-20(12-10-17)27-22(30)16-21-23(31)29(15-13-18-6-4-5-14-26-18)24(32-21)28-19-7-2-1-3-8-19/h1-12,14,21H,13,15-16H2,(H,27,30)/b28-24-
InChIKeyVUNIVJAODXKIQZ-COOPMVRXSA-N
XLogP4.42
TPSA74.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.52
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(4-{3-[(4-methylpyrimidin-2-yl)sulfanyl]-2,5-dioxopyrrolidin-1-yl}phenyl)acetamide
CID 2901805
N-(2,6-dimethylphenyl)-2-[2-(2,6-dimethylphenyl)imino-4-oxo-3-(2-pyridin-2-ylethyl)-1,3-thiazolidin-5-yl]acetamide
CID 4204136
N-(3-chlorophenyl)-2-[4-oxo-2-phenylimino-3-(2-pyridinylmethyl)-5-thiazolidinyl]acetamide
CID 4424829
N-(4-bromophenyl)-2-[4-oxo-2-phenylimino-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-5-yl]acetamide
CID 4441779
N-(2,5-difluorophenyl)-3-(2-pyridin-2-ylethylsulfanyl)propanamide
CID 5108870
N-(2,4-difluorophenyl)-2-((2-oxo-1-(pyridin-2-ylmethyl)-2,5,6,7-tetrahydro-1H-cyclopenta[d]pyrimidin-4-yl)thio)acetamide
CID 18581382
N-(4-fluorophenyl)-1-methyl-6-oxo-2-(pyridin-3-ylmethylsulfanyl)pyrimidine-5-carboxamide
CID 7162582
2-cyclohexylsulfanyl-4-(2-pyridylmethyl)-1H-pyrimidin-6-one
CID 135511212
2-(2-((4-fluorobenzyl)thio)-6-oxo-1,6-dihydropyrimidin-4-yl)-N-(pyridin-4-ylmethyl)acetamide
CID 135885959
2-(2-((2-fluorobenzyl)thio)-6-oxo-1,6-dihydropyrimidin-4-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 135952757
2-(2-((2-fluorobenzyl)thio)-4-methyl-6-oxo-1,6-dihydropyrimidin-5-yl)-N-(pyridin-4-ylmethyl)acetamide
CID 135952849
N-3-pyridyl{2-[(p-fluorophenyl)methylthio]-4-methyl-6-oxo-1,6-dihydro-5-pyrimidinyl}acetamide
CID 136952217

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[4-oxo-2-phenylimino-3-(2-pyridin-2-ylethyl)-1,3-thiazolidin-5-yl]acetamide?
The IUPAC name of N-(4-fluorophenyl)-2-[4-oxo-2-phenylimino-3-(2-pyridin-2-ylethyl)-1,3-thiazolidin-5-yl]acetamide (CID 3997490) is N-(4-fluorophenyl)-2-[4-oxo-2-phenylimino-3-(2-pyridin-2-ylethyl)-1,3-thiazolidin-5-yl]acetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[4-oxo-2-phenylimino-3-(2-pyridin-2-ylethyl)-1,3-thiazolidin-5-yl]acetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[4-oxo-2-phenylimino-3-(2-pyridin-2-ylethyl)-1,3-thiazolidin-5-yl]acetamide is O=C(CC1S/C(=N\c2ccccc2)N(CCc2ccccn2)C1=O)Nc1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-2-[4-oxo-2-phenylimino-3-(2-pyridin-2-ylethyl)-1,3-thiazolidin-5-yl]acetamide?
The InChIKey is VUNIVJAODXKIQZ-COOPMVRXSA-N. The full InChI is InChI=1S/C24H21FN4O2S/c25-17-9-11-20(12-10-17)27-22(30)16-21-23(31)29(15-13-18-6-4-5-14-26-18)24(32-21)28-19-7-2-1-3-8-19/h1-12,14,21H,13,15-16H2,(H,27,30)/b28-24-.
What are the key properties of N-(4-fluorophenyl)-2-[4-oxo-2-phenylimino-3-(2-pyridin-2-ylethyl)-1,3-thiazolidin-5-yl]acetamide?
N-(4-fluorophenyl)-2-[4-oxo-2-phenylimino-3-(2-pyridin-2-ylethyl)-1,3-thiazolidin-5-yl]acetamide has a molecular weight of 448.52 g/mol, XLogP of 4.42, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[4-oxo-2-phenylimino-3-(2-pyridin-2-ylethyl)-1,3-thiazolidin-5-yl]acetamide is sourced from PubChem (CID 3997490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).