2-[2-(3,5-dimethylphenyl)imino-3-(2-morpholin-4-ylethyl)-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide

C25H30N4O3S — CID 3570860

IUPAC2-[2-(3,5-dimethylphenyl)imino-3-(2-morpholin-4-ylethyl)-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
SMILESCc1cc(C)cc(/N=C2\SC(CC(=O)Nc3ccccc3)C(=O)N2CCN2CCOCC2)c1
InChIInChI=1S/C25H30N4O3S/c1-18-14-19(2)16-21(15-18)27-25-29(9-8-28-10-12-32-13-11-28)24(31)22(33-25)17-23(30)26-20-6-4-3-5-7-20/h3-7,14-16,22H,8-13,17H2,1-2H3,(H,26,30)/b27-25-
InChIKeyWLNJLIMPDQIEGQ-RFBIWTDZSA-N
MW466.61 g/mol
LogP3.60
Rot. Bonds7

About 2-[2-(3,5-dimethylphenyl)imino-3-(2-morpholin-4-ylethyl)-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide

2-[2-(3,5-dimethylphenyl)imino-3-(2-morpholin-4-ylethyl)-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide (PubChem CID 3570860) has the molecular formula C25H30N4O3S and a molecular weight of 466.61 g/mol. Its IUPAC name is 2-[2-(3,5-dimethylphenyl)imino-3-(2-morpholin-4-ylethyl)-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[2-(3,5-dimethylphenyl)imino-3-(2-morpholin-4-ylethyl)-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
PubChem CID3570860
Molecular FormulaC25H30N4O3S
Molecular Weight466.61 g/mol
Exact Mass466.20
IUPAC Name2-[2-(3,5-dimethylphenyl)imino-3-(2-morpholin-4-ylethyl)-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
SMILESCc1cc(C)cc(/N=C2\SC(CC(=O)Nc3ccccc3)C(=O)N2CCN2CCOCC2)c1
InChIInChI=1S/C25H30N4O3S/c1-18-14-19(2)16-21(15-18)27-25-29(9-8-28-10-12-32-13-11-28)24(31)22(33-25)17-23(30)26-20-6-4-3-5-7-20/h3-7,14-16,22H,8-13,17H2,1-2H3,(H,26,30)/b27-25-
InChIKeyWLNJLIMPDQIEGQ-RFBIWTDZSA-N
XLogP3.60
TPSA74.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.61
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(2,5-Dioxo-1-m-tolyl-pyrrolidin-3-yl)-1,3-diphenyl-isothiourea
CID 2833596
3-Ethyl-2-ethylimino-4-oxo-[1,3]thiazinane-6-carboxylic acid m-tolylamide
CID 3139558
2-[2-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)imino-3-(2-morpholin-4-ylethyl)-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 4336212
N-(2,4-difluorophenyl)-2-[2-(2-fluorophenyl)imino-3-(2-morpholin-4-ylethyl)-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 4518152
2-(2-morpholin-4-yl-4-oxo-1,3-thiazol-5-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 3974387
N-(3-ethylphenyl)-2-(4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)acetamide
CID 4885149
2-[(2E)-2-(cyclohexylimino)-4-oxo-1,3-thiazolidin-5-yl]-N-(3-methylphenyl)acetamide
CID 135403877
N-(3,5-dimethylphenyl)-2-((1-(2-morpholinoethyl)-2-oxo-2,5,6,7-tetrahydro-1H-cyclopenta[d]pyrimidin-4-yl)thio)acetamide
CID 16032770
2-[3-methyl-2-(methylimino)-4-oxo-1,3-thiazolidin-5-yl]-N-[4-(4-morpholinyl)phenyl]acetamide
CID 2939340
2-[(2Z)-3-ethyl-2-(ethylimino)-4-oxo-1,3-thiazolidin-5-yl]-N-[4-(morpholin-4-yl)phenyl]acetamide
CID 3147898
(2E)-3-methyl-4-oxo-N-phenyl-2-{[3-(trifluoromethyl)phenyl]imino}-1,3-thiazinane-6-carboxamide
CID 3699180
2-[2-(4-fluorophenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]-N-(3-methylphenyl)acetamide
CID 3928648

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,5-dimethylphenyl)imino-3-(2-morpholin-4-ylethyl)-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide?
The IUPAC name of 2-[2-(3,5-dimethylphenyl)imino-3-(2-morpholin-4-ylethyl)-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide (CID 3570860) is 2-[2-(3,5-dimethylphenyl)imino-3-(2-morpholin-4-ylethyl)-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[2-(3,5-dimethylphenyl)imino-3-(2-morpholin-4-ylethyl)-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide?
The canonical SMILES for 2-[2-(3,5-dimethylphenyl)imino-3-(2-morpholin-4-ylethyl)-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide is Cc1cc(C)cc(/N=C2\SC(CC(=O)Nc3ccccc3)C(=O)N2CCN2CCOCC2)c1.
What is the InChIKey of 2-[2-(3,5-dimethylphenyl)imino-3-(2-morpholin-4-ylethyl)-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide?
The InChIKey is WLNJLIMPDQIEGQ-RFBIWTDZSA-N. The full InChI is InChI=1S/C25H30N4O3S/c1-18-14-19(2)16-21(15-18)27-25-29(9-8-28-10-12-32-13-11-28)24(31)22(33-25)17-23(30)26-20-6-4-3-5-7-20/h3-7,14-16,22H,8-13,17H2,1-2H3,(H,26,30)/b27-25-.
What are the key properties of 2-[2-(3,5-dimethylphenyl)imino-3-(2-morpholin-4-ylethyl)-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide?
2-[2-(3,5-dimethylphenyl)imino-3-(2-morpholin-4-ylethyl)-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide has a molecular weight of 466.61 g/mol, XLogP of 3.60, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,5-dimethylphenyl)imino-3-(2-morpholin-4-ylethyl)-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide is sourced from PubChem (CID 3570860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).