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

C24H25F2N3O3S — CID 3651525

IUPACN-(2,4-difluorophenyl)-2-[2-(2,4-dimethylphenyl)imino-4-oxo-3-(oxolan-2-ylmethyl)-1,3-thiazolidin-5-yl]acetamide
SMILESCc1ccc(/N=C2\SC(CC(=O)Nc3ccc(F)cc3F)C(=O)N2CC2CCCO2)c(C)c1
InChIInChI=1S/C24H25F2N3O3S/c1-14-5-7-19(15(2)10-14)28-24-29(13-17-4-3-9-32-17)23(31)21(33-24)12-22(30)27-20-8-6-16(25)11-18(20)26/h5-8,10-11,17,21H,3-4,9,12-13H2,1-2H3,(H,27,30)/b28-24-
InChIKeyGFVNNKVDKGHHJW-COOPMVRXSA-N
MW473.55 g/mol
LogP4.72
Rot. Bonds6

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

N-(2,4-difluorophenyl)-2-[2-(2,4-dimethylphenyl)imino-4-oxo-3-(oxolan-2-ylmethyl)-1,3-thiazolidin-5-yl]acetamide (PubChem CID 3651525) has the molecular formula C24H25F2N3O3S and a molecular weight of 473.55 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-2-[2-(2,4-dimethylphenyl)imino-4-oxo-3-(oxolan-2-ylmethyl)-1,3-thiazolidin-5-yl]acetamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-2-[2-(2,4-dimethylphenyl)imino-4-oxo-3-(oxolan-2-ylmethyl)-1,3-thiazolidin-5-yl]acetamide
PubChem CID3651525
Molecular FormulaC24H25F2N3O3S
Molecular Weight473.55 g/mol
Exact Mass473.16
IUPAC NameN-(2,4-difluorophenyl)-2-[2-(2,4-dimethylphenyl)imino-4-oxo-3-(oxolan-2-ylmethyl)-1,3-thiazolidin-5-yl]acetamide
SMILESCc1ccc(/N=C2\SC(CC(=O)Nc3ccc(F)cc3F)C(=O)N2CC2CCCO2)c(C)c1
InChIInChI=1S/C24H25F2N3O3S/c1-14-5-7-19(15(2)10-14)28-24-29(13-17-4-3-9-32-17)23(31)21(33-24)12-22(30)27-20-8-6-16(25)11-18(20)26/h5-8,10-11,17,21H,3-4,9,12-13H2,1-2H3,(H,27,30)/b28-24-
InChIKeyGFVNNKVDKGHHJW-COOPMVRXSA-N
XLogP4.72
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.55
LogP ≤ 54.72
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-(2,4-difluorophenyl)-2-[2-(2,4-dimethylphenyl)imino-4-oxo-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-5-yl]acetamide
CID 42993972
2-[(5R)-2-(2-methylphenyl)imino-4-oxo-3-[[(2S)-oxolan-2-yl]methyl]-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 7796868
N-(2,4-difluorophenyl)-2-[2-(2,5-dimethylphenyl)imino-3-(2-methoxyethyl)-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 42994000
N-(4-fluorophenyl)-2-[4-oxo-3-(oxolan-2-ylmethyl)-2-phenylimino-1,3-thiazolidin-5-yl]acetamide
CID 4858236
N-(2,4-dimethylphenyl)-2-[(5R)-3-ethyl-2-(4-fluorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 7318827
N-(3-chlorophenyl)-2-[2-(3-methylphenyl)imino-4-oxo-3-(oxolan-2-ylmethyl)-1,3-thiazolidin-5-yl]acetamide
CID 16555633
N-(2,6-dimethylphenyl)-2-[2-(3,4-dimethylphenyl)imino-4-oxo-3-(oxolan-2-ylmethyl)-1,3-thiazolidin-5-yl]acetamide
CID 42990753
N-(2,4-difluorophenyl)-2-[2-(3,5-dimethylphenyl)imino-3-(2-methoxyethyl)-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 42994107
N-(2,5-dimethoxyphenyl)-2-[(5S)-2-(2-ethoxyphenyl)imino-4-oxo-3-[[(2S)-oxolan-2-yl]methyl]-1,3-thiazolidin-5-yl]acetamide
CID 26860502
2-[(5R)-4-oxo-3-[[(2R)-oxolan-2-yl]methyl]-2-phenylimino-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 7432493
2-[2-[5-(dimethylsulfamoyl)-2-methylphenyl]imino-4-oxo-3-(oxolan-2-ylmethyl)-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 3897565
N-(4-methoxy-2-nitrophenyl)-2-[(5R)-2-(4-methoxyphenyl)imino-4-oxo-3-[[(2S)-oxolan-2-yl]methyl]-1,3-thiazolidin-5-yl]acetamide
CID 26860462

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-2-[2-(2,4-dimethylphenyl)imino-4-oxo-3-(oxolan-2-ylmethyl)-1,3-thiazolidin-5-yl]acetamide?
The IUPAC name of N-(2,4-difluorophenyl)-2-[2-(2,4-dimethylphenyl)imino-4-oxo-3-(oxolan-2-ylmethyl)-1,3-thiazolidin-5-yl]acetamide (CID 3651525) is N-(2,4-difluorophenyl)-2-[2-(2,4-dimethylphenyl)imino-4-oxo-3-(oxolan-2-ylmethyl)-1,3-thiazolidin-5-yl]acetamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-2-[2-(2,4-dimethylphenyl)imino-4-oxo-3-(oxolan-2-ylmethyl)-1,3-thiazolidin-5-yl]acetamide?
The canonical SMILES for N-(2,4-difluorophenyl)-2-[2-(2,4-dimethylphenyl)imino-4-oxo-3-(oxolan-2-ylmethyl)-1,3-thiazolidin-5-yl]acetamide is Cc1ccc(/N=C2\SC(CC(=O)Nc3ccc(F)cc3F)C(=O)N2CC2CCCO2)c(C)c1.
What is the InChIKey of N-(2,4-difluorophenyl)-2-[2-(2,4-dimethylphenyl)imino-4-oxo-3-(oxolan-2-ylmethyl)-1,3-thiazolidin-5-yl]acetamide?
The InChIKey is GFVNNKVDKGHHJW-COOPMVRXSA-N. The full InChI is InChI=1S/C24H25F2N3O3S/c1-14-5-7-19(15(2)10-14)28-24-29(13-17-4-3-9-32-17)23(31)21(33-24)12-22(30)27-20-8-6-16(25)11-18(20)26/h5-8,10-11,17,21H,3-4,9,12-13H2,1-2H3,(H,27,30)/b28-24-.
What are the key properties of N-(2,4-difluorophenyl)-2-[2-(2,4-dimethylphenyl)imino-4-oxo-3-(oxolan-2-ylmethyl)-1,3-thiazolidin-5-yl]acetamide?
N-(2,4-difluorophenyl)-2-[2-(2,4-dimethylphenyl)imino-4-oxo-3-(oxolan-2-ylmethyl)-1,3-thiazolidin-5-yl]acetamide has a molecular weight of 473.55 g/mol, XLogP of 4.72, 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-(2,4-dimethylphenyl)imino-4-oxo-3-(oxolan-2-ylmethyl)-1,3-thiazolidin-5-yl]acetamide is sourced from PubChem (CID 3651525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).