2-[(5R)-2-(2-methylphenyl)imino-4-oxo-3-[[(2S)-oxolan-2-yl]methyl]-1,3-thiazolidin-5-yl]-N-phenylacetamide

C23H25N3O3S — CID 7796868

IUPAC2-[(5R)-2-(2-methylphenyl)imino-4-oxo-3-[[(2S)-oxolan-2-yl]methyl]-1,3-thiazolidin-5-yl]-N-phenylacetamide
SMILESCc1ccccc1/N=C1\S[C@H](CC(=O)Nc2ccccc2)C(=O)N1C[C@@H]1CCCO1
InChIInChI=1S/C23H25N3O3S/c1-16-8-5-6-12-19(16)25-23-26(15-18-11-7-13-29-18)22(28)20(30-23)14-21(27)24-17-9-3-2-4-10-17/h2-6,8-10,12,18,20H,7,11,13-15H2,1H3,(H,24,27)/b25-23-/t18-,20+/m0/s1
InChIKeyUOPFEHQQRORZQA-VVWGVVMKSA-N
MW423.54 g/mol
LogP4.13
Rot. Bonds6

About 2-[(5R)-2-(2-methylphenyl)imino-4-oxo-3-[[(2S)-oxolan-2-yl]methyl]-1,3-thiazolidin-5-yl]-N-phenylacetamide

2-[(5R)-2-(2-methylphenyl)imino-4-oxo-3-[[(2S)-oxolan-2-yl]methyl]-1,3-thiazolidin-5-yl]-N-phenylacetamide (PubChem CID 7796868) has the molecular formula C23H25N3O3S and a molecular weight of 423.54 g/mol. Its IUPAC name is 2-[(5R)-2-(2-methylphenyl)imino-4-oxo-3-[[(2S)-oxolan-2-yl]methyl]-1,3-thiazolidin-5-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[(5R)-2-(2-methylphenyl)imino-4-oxo-3-[[(2S)-oxolan-2-yl]methyl]-1,3-thiazolidin-5-yl]-N-phenylacetamide
PubChem CID7796868
Molecular FormulaC23H25N3O3S
Molecular Weight423.54 g/mol
Exact Mass423.16
IUPAC Name2-[(5R)-2-(2-methylphenyl)imino-4-oxo-3-[[(2S)-oxolan-2-yl]methyl]-1,3-thiazolidin-5-yl]-N-phenylacetamide
SMILESCc1ccccc1/N=C1\S[C@H](CC(=O)Nc2ccccc2)C(=O)N1C[C@@H]1CCCO1
InChIInChI=1S/C23H25N3O3S/c1-16-8-5-6-12-19(16)25-23-26(15-18-11-7-13-29-18)22(28)20(30-23)14-21(27)24-17-9-3-2-4-10-17/h2-6,8-10,12,18,20H,7,11,13-15H2,1H3,(H,24,27)/b25-23-/t18-,20+/m0/s1
InChIKeyUOPFEHQQRORZQA-VVWGVVMKSA-N
XLogP4.13
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.54
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[(5R)-2-(2-methylphenyl)imino-4-oxo-3-[[(2S)-oxolan-2-yl]methyl]-1,3-thiazolidin-5-yl]-N-phenylacetamide 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)-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
2-[(5S)-2-(4-methoxyphenyl)imino-4-oxo-3-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 6597384
N-(4-fluorophenyl)-2-[4-oxo-3-(oxolan-2-ylmethyl)-2-phenylimino-1,3-thiazolidin-5-yl]acetamide
CID 4858236
N-(3-chlorophenyl)-2-[(5S)-4-oxo-3-[[(2R)-oxolan-2-yl]methyl]-2-phenylimino-1,3-thiazolidin-5-yl]acetamide
CID 6597360
2-[2-(4-morpholin-4-ylsulfonylphenyl)imino-4-oxo-3-(oxolan-2-ylmethyl)-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 5165365
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-(3-chloro-4-methoxyphenyl)-2-[(5R)-2-(2-ethoxyphenyl)imino-4-oxo-3-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazolidin-5-yl]acetamide
CID 26860435
2-[(5S)-4-oxo-3-[[(2S)-oxolan-2-yl]methyl]-2-phenylimino-1,3-thiazolidin-5-yl]acetic acid
CID 1280321
N-(4-acetylphenyl)-2-[4-oxo-3-(oxolan-2-ylmethyl)-2-(4-propan-2-ylphenyl)imino-1,3-thiazolidin-5-yl]acetamide
CID 42990782
N-(2,4-difluorophenyl)-2-[2-(2,4-dimethylphenyl)imino-4-oxo-3-(oxolan-2-ylmethyl)-1,3-thiazolidin-5-yl]acetamide
CID 3651525

Frequently Asked Questions

What is the IUPAC name of 2-[(5R)-2-(2-methylphenyl)imino-4-oxo-3-[[(2S)-oxolan-2-yl]methyl]-1,3-thiazolidin-5-yl]-N-phenylacetamide?
The IUPAC name of 2-[(5R)-2-(2-methylphenyl)imino-4-oxo-3-[[(2S)-oxolan-2-yl]methyl]-1,3-thiazolidin-5-yl]-N-phenylacetamide (CID 7796868) is 2-[(5R)-2-(2-methylphenyl)imino-4-oxo-3-[[(2S)-oxolan-2-yl]methyl]-1,3-thiazolidin-5-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[(5R)-2-(2-methylphenyl)imino-4-oxo-3-[[(2S)-oxolan-2-yl]methyl]-1,3-thiazolidin-5-yl]-N-phenylacetamide?
The canonical SMILES for 2-[(5R)-2-(2-methylphenyl)imino-4-oxo-3-[[(2S)-oxolan-2-yl]methyl]-1,3-thiazolidin-5-yl]-N-phenylacetamide is Cc1ccccc1/N=C1\S[C@H](CC(=O)Nc2ccccc2)C(=O)N1C[C@@H]1CCCO1.
What is the InChIKey of 2-[(5R)-2-(2-methylphenyl)imino-4-oxo-3-[[(2S)-oxolan-2-yl]methyl]-1,3-thiazolidin-5-yl]-N-phenylacetamide?
The InChIKey is UOPFEHQQRORZQA-VVWGVVMKSA-N. The full InChI is InChI=1S/C23H25N3O3S/c1-16-8-5-6-12-19(16)25-23-26(15-18-11-7-13-29-18)22(28)20(30-23)14-21(27)24-17-9-3-2-4-10-17/h2-6,8-10,12,18,20H,7,11,13-15H2,1H3,(H,24,27)/b25-23-/t18-,20+/m0/s1.
What are the key properties of 2-[(5R)-2-(2-methylphenyl)imino-4-oxo-3-[[(2S)-oxolan-2-yl]methyl]-1,3-thiazolidin-5-yl]-N-phenylacetamide?
2-[(5R)-2-(2-methylphenyl)imino-4-oxo-3-[[(2S)-oxolan-2-yl]methyl]-1,3-thiazolidin-5-yl]-N-phenylacetamide has a molecular weight of 423.54 g/mol, XLogP of 4.13, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5R)-2-(2-methylphenyl)imino-4-oxo-3-[[(2S)-oxolan-2-yl]methyl]-1,3-thiazolidin-5-yl]-N-phenylacetamide is sourced from PubChem (CID 7796868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).