2-[(5R)-2-(2,6-dimethylphenyl)imino-4-oxo-3-propyl-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide

C23H27N3O2S — CID 8716009

IUPAC2-[(5R)-2-(2,6-dimethylphenyl)imino-4-oxo-3-propyl-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide
SMILESCCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2C)S/C1=N\c1c(C)cccc1C
InChIInChI=1S/C23H27N3O2S/c1-5-13-26-22(28)19(14-20(27)24-18-12-7-6-9-15(18)2)29-23(26)25-21-16(3)10-8-11-17(21)4/h6-12,19H,5,13-14H2,1-4H3,(H,24,27)/b25-23-/t19-/m1/s1
InChIKeyFKOXWEVXQIXNDL-APPAOHSRSA-N
MW409.56 g/mol
LogP4.98
Rot. Bonds6

About 2-[(5R)-2-(2,6-dimethylphenyl)imino-4-oxo-3-propyl-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide

2-[(5R)-2-(2,6-dimethylphenyl)imino-4-oxo-3-propyl-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide (PubChem CID 8716009) has the molecular formula C23H27N3O2S and a molecular weight of 409.56 g/mol. Its IUPAC name is 2-[(5R)-2-(2,6-dimethylphenyl)imino-4-oxo-3-propyl-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[(5R)-2-(2,6-dimethylphenyl)imino-4-oxo-3-propyl-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide
PubChem CID8716009
Molecular FormulaC23H27N3O2S
Molecular Weight409.56 g/mol
Exact Mass409.18
IUPAC Name2-[(5R)-2-(2,6-dimethylphenyl)imino-4-oxo-3-propyl-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide
SMILESCCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2C)S/C1=N\c1c(C)cccc1C
InChIInChI=1S/C23H27N3O2S/c1-5-13-26-22(28)19(14-20(27)24-18-12-7-6-9-15(18)2)29-23(26)25-21-16(3)10-8-11-17(21)4/h6-12,19H,5,13-14H2,1-4H3,(H,24,27)/b25-23-/t19-/m1/s1
InChIKeyFKOXWEVXQIXNDL-APPAOHSRSA-N
XLogP4.98
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.56
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[(5R)-2-(2,6-dimethylphenyl)imino-4-oxo-3-propyl-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(5S)-2-(2,6-dimethylphenyl)imino-4-oxo-3-propyl-1,3-thiazolidin-5-yl]-N-(2-methoxyphenyl)acetamide
CID 8715996
2-[(5R)-2-(2,6-dimethylphenyl)imino-4-oxo-3-propyl-1,3-thiazolidin-5-yl]-N-(4-fluorophenyl)acetamide
CID 7974391
N-(2,5-dimethylphenyl)-2-[(5R)-2-(2-methylphenyl)imino-4-oxo-3-propyl-1,3-thiazolidin-5-yl]acetamide
CID 7974495
2-[2-(2,6-dimethylphenyl)imino-3-(3-methoxypropyl)-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methoxyphenyl)acetamide
CID 42990888
2-[(5S)-3-(3-methylbutyl)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide
CID 8715739
2-[(5R)-3-[2-(dimethylamino)ethyl]-2-(2,6-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2,6-dimethylphenyl)acetamide
CID 2413930
2-[(5R)-3-(3-methoxypropyl)-2-(2-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide
CID 8716074
N-(2,6-dimethylphenyl)-2-[(5R)-2-(3-methylphenyl)imino-4-oxo-3-propyl-1,3-thiazolidin-5-yl]acetamide
CID 7973987
2-[2-(3,5-dimethylphenyl)imino-4-oxo-3-propyl-1,3-thiazolidin-5-yl]-N-(2-methoxyphenyl)acetamide
CID 42990949
N-(2,4-dimethoxyphenyl)-2-[2-(2,6-dimethylphenyl)imino-3-(3-ethoxypropyl)-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 42994082
N-(2-bromophenyl)-2-[3-cyclopropyl-2-(2,6-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 42991701
2-[(5R)-2-(4-fluorophenyl)imino-3-(2-methylpropyl)-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide
CID 8715830

Frequently Asked Questions

What is the IUPAC name of 2-[(5R)-2-(2,6-dimethylphenyl)imino-4-oxo-3-propyl-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide?
The IUPAC name of 2-[(5R)-2-(2,6-dimethylphenyl)imino-4-oxo-3-propyl-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide (CID 8716009) is 2-[(5R)-2-(2,6-dimethylphenyl)imino-4-oxo-3-propyl-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide.
What is the SMILES notation for 2-[(5R)-2-(2,6-dimethylphenyl)imino-4-oxo-3-propyl-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide?
The canonical SMILES for 2-[(5R)-2-(2,6-dimethylphenyl)imino-4-oxo-3-propyl-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide is CCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2C)S/C1=N\c1c(C)cccc1C.
What is the InChIKey of 2-[(5R)-2-(2,6-dimethylphenyl)imino-4-oxo-3-propyl-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide?
The InChIKey is FKOXWEVXQIXNDL-APPAOHSRSA-N. The full InChI is InChI=1S/C23H27N3O2S/c1-5-13-26-22(28)19(14-20(27)24-18-12-7-6-9-15(18)2)29-23(26)25-21-16(3)10-8-11-17(21)4/h6-12,19H,5,13-14H2,1-4H3,(H,24,27)/b25-23-/t19-/m1/s1.
What are the key properties of 2-[(5R)-2-(2,6-dimethylphenyl)imino-4-oxo-3-propyl-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide?
2-[(5R)-2-(2,6-dimethylphenyl)imino-4-oxo-3-propyl-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide has a molecular weight of 409.56 g/mol, XLogP of 4.98, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5R)-2-(2,6-dimethylphenyl)imino-4-oxo-3-propyl-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide is sourced from PubChem (CID 8716009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).