N-(2,4-difluorophenyl)-2-[2-(2-methylphenyl)imino-4-oxo-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-5-yl]acetamide

C24H20F2N4O2S — CID 42993902

IUPACN-(2,4-difluorophenyl)-2-[2-(2-methylphenyl)imino-4-oxo-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-5-yl]acetamide
SMILESCc1ccccc1/N=C1\SC(CC(=O)Nc2ccc(F)cc2F)C(=O)N1Cc1ccccn1
InChIInChI=1S/C24H20F2N4O2S/c1-15-6-2-3-8-19(15)29-24-30(14-17-7-4-5-11-27-17)23(32)21(33-24)13-22(31)28-20-10-9-16(25)12-18(20)26/h2-12,21H,13-14H2,1H3,(H,28,31)/b29-24-
InChIKeyAMJLWCGAEKNHEE-OLFWJLLRSA-N
MW466.51 g/mol
LogP4.83
Rot. Bonds6

About N-(2,4-difluorophenyl)-2-[2-(2-methylphenyl)imino-4-oxo-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-5-yl]acetamide

N-(2,4-difluorophenyl)-2-[2-(2-methylphenyl)imino-4-oxo-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-5-yl]acetamide (PubChem CID 42993902) has the molecular formula C24H20F2N4O2S and a molecular weight of 466.51 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-2-[2-(2-methylphenyl)imino-4-oxo-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-5-yl]acetamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-2-[2-(2-methylphenyl)imino-4-oxo-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-5-yl]acetamide
PubChem CID42993902
Molecular FormulaC24H20F2N4O2S
Molecular Weight466.51 g/mol
Exact Mass466.13
IUPAC NameN-(2,4-difluorophenyl)-2-[2-(2-methylphenyl)imino-4-oxo-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-5-yl]acetamide
SMILESCc1ccccc1/N=C1\SC(CC(=O)Nc2ccc(F)cc2F)C(=O)N1Cc1ccccn1
InChIInChI=1S/C24H20F2N4O2S/c1-15-6-2-3-8-19(15)29-24-30(14-17-7-4-5-11-27-17)23(32)21(33-24)13-22(31)28-20-10-9-16(25)12-18(20)26/h2-12,21H,13-14H2,1H3,(H,28,31)/b29-24-
InChIKeyAMJLWCGAEKNHEE-OLFWJLLRSA-N
XLogP4.83
TPSA74.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.51
LogP ≤ 54.83
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

2-[(4-oxo-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]-N-(6-phenyl-3-pyridinyl)acetamide
CID 71601110
2-[2-(2-methylphenyl)imino-4-oxo-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-5-yl]-N-naphthalen-2-ylacetamide
CID 4022978
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-fluorophenyl)-2-[3-[2-(1H-indol-3-yl)ethyl]-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide
CID 4966398
N-(2-bromophenyl)-2-[2-naphthalen-1-ylimino-4-oxo-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-5-yl]acetamide
CID 5145891
N-(3-fluoro-4-methylphenyl)-2-((2-oxo-1-(pyridin-2-ylmethyl)-2,5,6,7-tetrahydro-1H-cyclopenta[d]pyrimidin-4-yl)thio)acetamide
CID 16032818
N-(4-fluorophenyl)-2-[4-oxo-3-(2-pyridin-2-ylethyl)quinazolin-2-yl]sulfanylacetamide
CID 127051441
N-(4-fluorophenyl)-2-[4-oxo-2-phenylimino-3-(2-pyridin-2-ylethyl)-1,3-thiazolidin-5-yl]acetamide
CID 3997490
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

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-2-[2-(2-methylphenyl)imino-4-oxo-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-5-yl]acetamide?
The IUPAC name of N-(2,4-difluorophenyl)-2-[2-(2-methylphenyl)imino-4-oxo-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-5-yl]acetamide (CID 42993902) is N-(2,4-difluorophenyl)-2-[2-(2-methylphenyl)imino-4-oxo-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-5-yl]acetamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-2-[2-(2-methylphenyl)imino-4-oxo-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-5-yl]acetamide?
The canonical SMILES for N-(2,4-difluorophenyl)-2-[2-(2-methylphenyl)imino-4-oxo-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-5-yl]acetamide is Cc1ccccc1/N=C1\SC(CC(=O)Nc2ccc(F)cc2F)C(=O)N1Cc1ccccn1.
What is the InChIKey of N-(2,4-difluorophenyl)-2-[2-(2-methylphenyl)imino-4-oxo-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-5-yl]acetamide?
The InChIKey is AMJLWCGAEKNHEE-OLFWJLLRSA-N. The full InChI is InChI=1S/C24H20F2N4O2S/c1-15-6-2-3-8-19(15)29-24-30(14-17-7-4-5-11-27-17)23(32)21(33-24)13-22(31)28-20-10-9-16(25)12-18(20)26/h2-12,21H,13-14H2,1H3,(H,28,31)/b29-24-.
What are the key properties of N-(2,4-difluorophenyl)-2-[2-(2-methylphenyl)imino-4-oxo-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-5-yl]acetamide?
N-(2,4-difluorophenyl)-2-[2-(2-methylphenyl)imino-4-oxo-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-5-yl]acetamide has a molecular weight of 466.51 g/mol, XLogP of 4.83, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-2-[2-(2-methylphenyl)imino-4-oxo-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-5-yl]acetamide is sourced from PubChem (CID 42993902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).