2-[(5S)-3-cyclopropyl-2-(2-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(3,4-dimethoxyphenyl)acetamide

C23H25N3O4S — CID 2701235

IUPAC2-[(5S)-3-cyclopropyl-2-(2-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(3,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)C[C@@H]2S/C(=N\c3ccccc3C)N(C3CC3)C2=O)cc1OC
InChIInChI=1S/C23H25N3O4S/c1-14-6-4-5-7-17(14)25-23-26(16-9-10-16)22(28)20(31-23)13-21(27)24-15-8-11-18(29-2)19(12-15)30-3/h4-8,11-12,16,20H,9-10,13H2,1-3H3,(H,24,27)/b25-23-/t20-/m0/s1
InChIKeyBIRYEMWHYIUWLI-ZPKJPUMHSA-N
MW439.54 g/mol
LogP4.13
Rot. Bonds7

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

2-[(5S)-3-cyclopropyl-2-(2-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(3,4-dimethoxyphenyl)acetamide (PubChem CID 2701235) has the molecular formula C23H25N3O4S and a molecular weight of 439.54 g/mol. Its IUPAC name is 2-[(5S)-3-cyclopropyl-2-(2-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(3,4-dimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[(5S)-3-cyclopropyl-2-(2-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(3,4-dimethoxyphenyl)acetamide
PubChem CID2701235
Molecular FormulaC23H25N3O4S
Molecular Weight439.54 g/mol
Exact Mass439.16
IUPAC Name2-[(5S)-3-cyclopropyl-2-(2-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(3,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)C[C@@H]2S/C(=N\c3ccccc3C)N(C3CC3)C2=O)cc1OC
InChIInChI=1S/C23H25N3O4S/c1-14-6-4-5-7-17(14)25-23-26(16-9-10-16)22(28)20(31-23)13-21(27)24-15-8-11-18(29-2)19(12-15)30-3/h4-8,11-12,16,20H,9-10,13H2,1-3H3,(H,24,27)/b25-23-/t20-/m0/s1
InChIKeyBIRYEMWHYIUWLI-ZPKJPUMHSA-N
XLogP4.13
TPSA80.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.54
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[(5S)-3-cyclopropyl-2-(2-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(3,4-dimethoxyphenyl)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

N-(3-chlorophenyl)-2-[(5R)-3-cyclopropyl-2-(2-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 2362974
N-(3-chloro-4-methoxyphenyl)-2-(3-cyclopropyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl)acetamide
CID 42993771
2-[(5R)-3-cyclopropyl-2-(2,3-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methoxyphenyl)acetamide
CID 8715573
2-[(5S)-3-cyclopropyl-2-(2,4-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methoxyphenyl)acetamide
CID 8715610
2-[3-cyclopentyl-2-(2,4-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methoxyphenyl)acetamide
CID 42914723
2-[(5R)-3-cyclopropyl-2-(3,4-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methoxyphenyl)acetamide
CID 8716025
N-(3-chlorophenyl)-2-[3-cyclopropyl-2-(2,5-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 16555650
N-(3,4-dimethoxyphenyl)-2-[2-(2,6-dimethylphenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]acetamide
CID 42994073
2-[(5S)-3-cyclopropyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide
CID 8715693
N-(3-methoxyphenyl)-2-[(5S)-2-(2-methylphenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]acetamide
CID 8716092
2-[3-cyclopropyl-2-(4-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methoxyphenyl)acetamide
CID 42990676
2-[(5S)-3-cyclopropyl-2-(2,5-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2,5-dimethylphenyl)acetamide
CID 8715661

Frequently Asked Questions

What is the IUPAC name of 2-[(5S)-3-cyclopropyl-2-(2-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(3,4-dimethoxyphenyl)acetamide?
The IUPAC name of 2-[(5S)-3-cyclopropyl-2-(2-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(3,4-dimethoxyphenyl)acetamide (CID 2701235) is 2-[(5S)-3-cyclopropyl-2-(2-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(3,4-dimethoxyphenyl)acetamide.
What is the SMILES notation for 2-[(5S)-3-cyclopropyl-2-(2-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(3,4-dimethoxyphenyl)acetamide?
The canonical SMILES for 2-[(5S)-3-cyclopropyl-2-(2-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(3,4-dimethoxyphenyl)acetamide is COc1ccc(NC(=O)C[C@@H]2S/C(=N\c3ccccc3C)N(C3CC3)C2=O)cc1OC.
What is the InChIKey of 2-[(5S)-3-cyclopropyl-2-(2-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(3,4-dimethoxyphenyl)acetamide?
The InChIKey is BIRYEMWHYIUWLI-ZPKJPUMHSA-N. The full InChI is InChI=1S/C23H25N3O4S/c1-14-6-4-5-7-17(14)25-23-26(16-9-10-16)22(28)20(31-23)13-21(27)24-15-8-11-18(29-2)19(12-15)30-3/h4-8,11-12,16,20H,9-10,13H2,1-3H3,(H,24,27)/b25-23-/t20-/m0/s1.
What are the key properties of 2-[(5S)-3-cyclopropyl-2-(2-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(3,4-dimethoxyphenyl)acetamide?
2-[(5S)-3-cyclopropyl-2-(2-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(3,4-dimethoxyphenyl)acetamide has a molecular weight of 439.54 g/mol, XLogP of 4.13, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5S)-3-cyclopropyl-2-(2-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(3,4-dimethoxyphenyl)acetamide is sourced from PubChem (CID 2701235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).