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

C25H22F2N4O2S — CID 42994014

IUPACN-(2,4-difluorophenyl)-2-[2-(2,5-dimethylphenyl)imino-4-oxo-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-5-yl]acetamide
SMILESCc1ccc(C)c(/N=C2\SC(CC(=O)Nc3ccc(F)cc3F)C(=O)N2Cc2ccccn2)c1
InChIInChI=1S/C25H22F2N4O2S/c1-15-6-7-16(2)21(11-15)30-25-31(14-18-5-3-4-10-28-18)24(33)22(34-25)13-23(32)29-20-9-8-17(26)12-19(20)27/h3-12,22H,13-14H2,1-2H3,(H,29,32)/b30-25-
InChIKeyWMJFAIAARIOASI-JVCXMKTPSA-N
MW480.54 g/mol
LogP5.14
Rot. Bonds6

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

N-(2,4-difluorophenyl)-2-[2-(2,5-dimethylphenyl)imino-4-oxo-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-5-yl]acetamide (PubChem CID 42994014) has the molecular formula C25H22F2N4O2S and a molecular weight of 480.54 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-2-[2-(2,5-dimethylphenyl)imino-4-oxo-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-5-yl]acetamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-2-[2-(2,5-dimethylphenyl)imino-4-oxo-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-5-yl]acetamide
PubChem CID42994014
Molecular FormulaC25H22F2N4O2S
Molecular Weight480.54 g/mol
Exact Mass480.14
IUPAC NameN-(2,4-difluorophenyl)-2-[2-(2,5-dimethylphenyl)imino-4-oxo-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-5-yl]acetamide
SMILESCc1ccc(C)c(/N=C2\SC(CC(=O)Nc3ccc(F)cc3F)C(=O)N2Cc2ccccn2)c1
InChIInChI=1S/C25H22F2N4O2S/c1-15-6-7-16(2)21(11-15)30-25-31(14-18-5-3-4-10-28-18)24(33)22(34-25)13-23(32)29-20-9-8-17(26)12-19(20)27/h3-12,22H,13-14H2,1-2H3,(H,29,32)/b30-25-
InChIKeyWMJFAIAARIOASI-JVCXMKTPSA-N
XLogP5.14
TPSA74.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.54
LogP ≤ 55.14
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-[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-(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-2-phenylimino-3-(2-pyridin-2-ylethyl)-1,3-thiazolidin-5-yl]acetamide
CID 3997490
3-Pentyl-2-[(Pyridin-2-Ylmethyl)sulfanyl]-7-(Pyrrolidin-1-Ylcarbonyl)quinazolin-4(3h)-One
CID 16804777
N-(2,5-dimethylphenyl)-2-((2-oxo-1-(pyridin-2-ylmethyl)-2,5,6,7-tetrahydro-1H-cyclopenta[d]pyrimidin-4-yl)thio)acetamide
CID 16032843
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
(2R)-N-[4-[(2Z)-2-(3-fluorophenyl)imino-4-oxo-3-(2-pyridylmethyl)thiazolidin-5-yl]phenyl]-1-(2-phenylacetyl)pyrrolidine-2-carboxamide
CID 16729128
2-[5-ethyl-2-[(4-fluorophenyl)methylsulfanyl]-4-oxopyrimidin-1-yl]-N-methyl-N-[[6-[4-(trifluoromethyl)phenyl]pyridin-3-yl]methyl]acetamide
CID 10231625

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-2-[2-(2,5-dimethylphenyl)imino-4-oxo-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-5-yl]acetamide?
The IUPAC name of N-(2,4-difluorophenyl)-2-[2-(2,5-dimethylphenyl)imino-4-oxo-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-5-yl]acetamide (CID 42994014) is N-(2,4-difluorophenyl)-2-[2-(2,5-dimethylphenyl)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-(2,5-dimethylphenyl)imino-4-oxo-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-5-yl]acetamide?
The canonical SMILES for N-(2,4-difluorophenyl)-2-[2-(2,5-dimethylphenyl)imino-4-oxo-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-5-yl]acetamide is Cc1ccc(C)c(/N=C2\SC(CC(=O)Nc3ccc(F)cc3F)C(=O)N2Cc2ccccn2)c1.
What is the InChIKey of N-(2,4-difluorophenyl)-2-[2-(2,5-dimethylphenyl)imino-4-oxo-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-5-yl]acetamide?
The InChIKey is WMJFAIAARIOASI-JVCXMKTPSA-N. The full InChI is InChI=1S/C25H22F2N4O2S/c1-15-6-7-16(2)21(11-15)30-25-31(14-18-5-3-4-10-28-18)24(33)22(34-25)13-23(32)29-20-9-8-17(26)12-19(20)27/h3-12,22H,13-14H2,1-2H3,(H,29,32)/b30-25-.
What are the key properties of N-(2,4-difluorophenyl)-2-[2-(2,5-dimethylphenyl)imino-4-oxo-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-5-yl]acetamide?
N-(2,4-difluorophenyl)-2-[2-(2,5-dimethylphenyl)imino-4-oxo-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-5-yl]acetamide has a molecular weight of 480.54 g/mol, XLogP of 5.14, 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-(2,5-dimethylphenyl)imino-4-oxo-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-5-yl]acetamide is sourced from PubChem (CID 42994014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).