2-[(5S)-3-methyl-4-oxo-2-(4-propan-2-ylphenyl)imino-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide

C22H25N3O2S — CID 9429999

IUPAC2-[(5S)-3-methyl-4-oxo-2-(4-propan-2-ylphenyl)imino-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide
SMILESCc1ccccc1NC(=O)C[C@@H]1S/C(=N/c2ccc(C(C)C)cc2)N(C)C1=O
InChIInChI=1S/C22H25N3O2S/c1-14(2)16-9-11-17(12-10-16)23-22-25(4)21(27)19(28-22)13-20(26)24-18-8-6-5-7-15(18)3/h5-12,14,19H,13H2,1-4H3,(H,24,26)/b23-22+/t19-/m0/s1
InChIKeyHAMXMUSTXPVUGF-CWJYSFMFSA-N
MW395.53 g/mol
LogP4.71
Rot. Bonds5

About 2-[(5S)-3-methyl-4-oxo-2-(4-propan-2-ylphenyl)imino-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide

2-[(5S)-3-methyl-4-oxo-2-(4-propan-2-ylphenyl)imino-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide (PubChem CID 9429999) has the molecular formula C22H25N3O2S and a molecular weight of 395.53 g/mol. Its IUPAC name is 2-[(5S)-3-methyl-4-oxo-2-(4-propan-2-ylphenyl)imino-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[(5S)-3-methyl-4-oxo-2-(4-propan-2-ylphenyl)imino-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide
PubChem CID9429999
Molecular FormulaC22H25N3O2S
Molecular Weight395.53 g/mol
Exact Mass395.17
IUPAC Name2-[(5S)-3-methyl-4-oxo-2-(4-propan-2-ylphenyl)imino-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide
SMILESCc1ccccc1NC(=O)C[C@@H]1S/C(=N/c2ccc(C(C)C)cc2)N(C)C1=O
InChIInChI=1S/C22H25N3O2S/c1-14(2)16-9-11-17(12-10-16)23-22-25(4)21(27)19(28-22)13-20(26)24-18-8-6-5-7-15(18)3/h5-12,14,19H,13H2,1-4H3,(H,24,26)/b23-22+/t19-/m0/s1
InChIKeyHAMXMUSTXPVUGF-CWJYSFMFSA-N
XLogP4.71
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.53
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[(5S)-3-methyl-4-oxo-2-(4-propan-2-ylphenyl)imino-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-[(5R)-3-methyl-4-oxo-2-(4-propan-2-ylphenyl)imino-1,3-thiazolidin-5-yl]-N-(2-nitrophenyl)acetamide
CID 40830222
2-[(5R)-2-(3,5-dimethylphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 1221375
2-[(5S)-3-(3-methylbutyl)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide
CID 8715739
N-(2,5-dimethylphenyl)-2-[(5S)-3-ethyl-4-oxo-2-(4-propan-2-ylphenyl)imino-1,3-thiazolidin-5-yl]acetamide
CID 1217880
2-[(5R)-2-(4-fluorophenyl)imino-3-(2-methylpropyl)-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide
CID 8715830
N-(2,5-dimethylphenyl)-2-[3-(3-methoxypropyl)-4-oxo-2-(4-propan-2-ylphenyl)imino-1,3-thiazolidin-5-yl]acetamide
CID 42993938
methyl 4-[[(5S)-5-[2-(2-chloroanilino)-2-oxoethyl]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoate
CID 41242632
2-(3-tert-butyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl)-N-(2-methylphenyl)acetamide
CID 5128316
N-(2-bromophenyl)-2-[2-(3,5-dimethylphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 45143363
2-(3-methyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl)-N-phenylacetamide
CID 17385719
2-[3-ethyl-4-oxo-2-(4-propan-2-ylphenyl)imino-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 4059953
2-[2-(4-bromophenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 4984913

Frequently Asked Questions

What is the IUPAC name of 2-[(5S)-3-methyl-4-oxo-2-(4-propan-2-ylphenyl)imino-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide?
The IUPAC name of 2-[(5S)-3-methyl-4-oxo-2-(4-propan-2-ylphenyl)imino-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide (CID 9429999) is 2-[(5S)-3-methyl-4-oxo-2-(4-propan-2-ylphenyl)imino-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide.
What is the SMILES notation for 2-[(5S)-3-methyl-4-oxo-2-(4-propan-2-ylphenyl)imino-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide?
The canonical SMILES for 2-[(5S)-3-methyl-4-oxo-2-(4-propan-2-ylphenyl)imino-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide is Cc1ccccc1NC(=O)C[C@@H]1S/C(=N/c2ccc(C(C)C)cc2)N(C)C1=O.
What is the InChIKey of 2-[(5S)-3-methyl-4-oxo-2-(4-propan-2-ylphenyl)imino-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide?
The InChIKey is HAMXMUSTXPVUGF-CWJYSFMFSA-N. The full InChI is InChI=1S/C22H25N3O2S/c1-14(2)16-9-11-17(12-10-16)23-22-25(4)21(27)19(28-22)13-20(26)24-18-8-6-5-7-15(18)3/h5-12,14,19H,13H2,1-4H3,(H,24,26)/b23-22+/t19-/m0/s1.
What are the key properties of 2-[(5S)-3-methyl-4-oxo-2-(4-propan-2-ylphenyl)imino-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide?
2-[(5S)-3-methyl-4-oxo-2-(4-propan-2-ylphenyl)imino-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide has a molecular weight of 395.53 g/mol, XLogP of 4.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5S)-3-methyl-4-oxo-2-(4-propan-2-ylphenyl)imino-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide is sourced from PubChem (CID 9429999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).