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

C25H22F2N4O2S — CID 42993864

IUPACN-(2,4-difluorophenyl)-2-[2-(3,4-dimethylphenyl)imino-4-oxo-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-5-yl]acetamide
SMILESCc1ccc(/N=C2\SC(CC(=O)Nc3ccc(F)cc3F)C(=O)N2Cc2ccccn2)cc1C
InChIInChI=1S/C25H22F2N4O2S/c1-15-6-8-18(11-16(15)2)29-25-31(14-19-5-3-4-10-28-19)24(33)22(34-25)13-23(32)30-21-9-7-17(26)12-20(21)27/h3-12,22H,13-14H2,1-2H3,(H,30,32)/b29-25-
InChIKeyAHGMTYRVRGBVGS-GNVQSUKOSA-N
MW480.54 g/mol
LogP5.14
Rot. Bonds6

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

N-(2,4-difluorophenyl)-2-[2-(3,4-dimethylphenyl)imino-4-oxo-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-5-yl]acetamide (PubChem CID 42993864) has the molecular formula C25H22F2N4O2S and a molecular weight of 480.54 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-2-[2-(3,4-dimethylphenyl)imino-4-oxo-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-5-yl]acetamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-2-[2-(3,4-dimethylphenyl)imino-4-oxo-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-5-yl]acetamide
PubChem CID42993864
Molecular FormulaC25H22F2N4O2S
Molecular Weight480.54 g/mol
Exact Mass480.14
IUPAC NameN-(2,4-difluorophenyl)-2-[2-(3,4-dimethylphenyl)imino-4-oxo-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-5-yl]acetamide
SMILESCc1ccc(/N=C2\SC(CC(=O)Nc3ccc(F)cc3F)C(=O)N2Cc2ccccn2)cc1C
InChIInChI=1S/C25H22F2N4O2S/c1-15-6-8-18(11-16(15)2)29-25-31(14-19-5-3-4-10-28-19)24(33)22(34-25)13-23(32)30-21-9-7-17(26)12-20(21)27/h3-12,22H,13-14H2,1-2H3,(H,30,32)/b29-25-
InChIKeyAHGMTYRVRGBVGS-GNVQSUKOSA-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-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
N-(2,3-dimethylphenyl)-2-((2-oxo-1-(pyridin-2-ylmethyl)-2,5,6,7-tetrahydro-1H-cyclopenta[d]pyrimidin-4-yl)thio)acetamide
CID 16032836
N-(4-ethylphenyl)-2-((2-oxo-1-(pyridin-2-ylmethyl)-2,5,6,7-tetrahydro-1H-cyclopenta[d]pyrimidin-4-yl)thio)acetamide
CID 16032858
(2Z)-3-[(4-aminophenyl)methyl]-2-[(Z)-1-pyridin-2-ylethylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 127053171
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
(2S)-N-[4-[(2Z)-3-[(3-fluorophenyl)methyl]-4-oxo-2-(3-pyridylimino)thiazolidin-5-yl]phenyl]-1-(2-phenylacetyl)pyrrolidine-2-carboxamide
CID 16729132
3-(3,4-Dimethylphenyl)-2-pyridin-2-yl-1,3-thiazolidin-4-one
CID 5159809

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-2-[2-(3,4-dimethylphenyl)imino-4-oxo-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-5-yl]acetamide?
The IUPAC name of N-(2,4-difluorophenyl)-2-[2-(3,4-dimethylphenyl)imino-4-oxo-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-5-yl]acetamide (CID 42993864) is N-(2,4-difluorophenyl)-2-[2-(3,4-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-(3,4-dimethylphenyl)imino-4-oxo-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-5-yl]acetamide?
The canonical SMILES for N-(2,4-difluorophenyl)-2-[2-(3,4-dimethylphenyl)imino-4-oxo-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-5-yl]acetamide is Cc1ccc(/N=C2\SC(CC(=O)Nc3ccc(F)cc3F)C(=O)N2Cc2ccccn2)cc1C.
What is the InChIKey of N-(2,4-difluorophenyl)-2-[2-(3,4-dimethylphenyl)imino-4-oxo-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-5-yl]acetamide?
The InChIKey is AHGMTYRVRGBVGS-GNVQSUKOSA-N. The full InChI is InChI=1S/C25H22F2N4O2S/c1-15-6-8-18(11-16(15)2)29-25-31(14-19-5-3-4-10-28-19)24(33)22(34-25)13-23(32)30-21-9-7-17(26)12-20(21)27/h3-12,22H,13-14H2,1-2H3,(H,30,32)/b29-25-.
What are the key properties of N-(2,4-difluorophenyl)-2-[2-(3,4-dimethylphenyl)imino-4-oxo-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-5-yl]acetamide?
N-(2,4-difluorophenyl)-2-[2-(3,4-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-(3,4-dimethylphenyl)imino-4-oxo-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-5-yl]acetamide is sourced from PubChem (CID 42993864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).