2-[3-[(2-chlorophenyl)methyl]-2-(3,4-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-methylacetamide

C21H22ClN3O2S — CID 42954767

IUPAC2-[3-[(2-chlorophenyl)methyl]-2-(3,4-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-methylacetamide
SMILESCNC(=O)CC1S/C(=N\c2ccc(C)c(C)c2)N(Cc2ccccc2Cl)C1=O
InChIInChI=1S/C21H22ClN3O2S/c1-13-8-9-16(10-14(13)2)24-21-25(12-15-6-4-5-7-17(15)22)20(27)18(28-21)11-19(26)23-3/h4-10,18H,11-12H2,1-3H3,(H,23,26)/b24-21-
InChIKeyHOYLSNDWBILHBI-FLFQWRMESA-N
MW415.95 g/mol
LogP4.22
Rot. Bonds5

About 2-[3-[(2-chlorophenyl)methyl]-2-(3,4-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-methylacetamide

2-[3-[(2-chlorophenyl)methyl]-2-(3,4-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-methylacetamide (PubChem CID 42954767) has the molecular formula C21H22ClN3O2S and a molecular weight of 415.95 g/mol. Its IUPAC name is 2-[3-[(2-chlorophenyl)methyl]-2-(3,4-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[3-[(2-chlorophenyl)methyl]-2-(3,4-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-methylacetamide
PubChem CID42954767
Molecular FormulaC21H22ClN3O2S
Molecular Weight415.95 g/mol
Exact Mass415.11
IUPAC Name2-[3-[(2-chlorophenyl)methyl]-2-(3,4-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-methylacetamide
SMILESCNC(=O)CC1S/C(=N\c2ccc(C)c(C)c2)N(Cc2ccccc2Cl)C1=O
InChIInChI=1S/C21H22ClN3O2S/c1-13-8-9-16(10-14(13)2)24-21-25(12-15-6-4-5-7-17(15)22)20(27)18(28-21)11-19(26)23-3/h4-10,18H,11-12H2,1-3H3,(H,23,26)/b24-21-
InChIKeyHOYLSNDWBILHBI-FLFQWRMESA-N
XLogP4.22
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.95
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[3-[(2-chlorophenyl)methyl]-2-(3,4-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-methylacetamide 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-(2-chlorophenyl)-2-[(5S)-3-[(2-chlorophenyl)methyl]-2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 28776187
2-[(5R)-2-(3,4-dimethylphenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]-N-ethylacetamide
CID 40563947
N-(2,3-dichlorophenyl)-2-[(5S)-2-(3,4-dimethylphenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]acetamide
CID 1498567
N-(2,6-dimethylphenyl)-2-[2-(3,4-dimethylphenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 4054994
2-[2-(3,5-dichloro-4-hydroxyphenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]-N-methylacetamide
CID 5028574
N-methyl-2-[(5S)-4-oxo-2-phenylimino-3-(3-phenylpropyl)-1,3-thiazolidin-5-yl]acetamide
CID 28748359
2-[3-[(4-methoxy-3-methylphenyl)methyl]-2-(2-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-methylacetamide
CID 146088209
2-[2-(3,4-dimethylphenyl)imino-3-(2-methoxyethyl)-4-oxo-1,3-thiazolidin-5-yl]-N-naphthalen-2-ylacetamide
CID 46802746
N-methyl-2-[(5R)-4-oxo-3-phenyl-2-phenylimino-1,3-thiazolidin-5-yl]acetamide
CID 1384539
N-(4-butylphenyl)-2-[2-(3,4-dimethylphenyl)imino-3-[(4-methoxyphenyl)methyl]-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 3272291
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-(2-methoxyphenyl)-2-[(5R)-2-(4-methoxyphenyl)imino-3-[(2-methoxyphenyl)methyl]-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 25402558

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2-chlorophenyl)methyl]-2-(3,4-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-methylacetamide?
The IUPAC name of 2-[3-[(2-chlorophenyl)methyl]-2-(3,4-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-methylacetamide (CID 42954767) is 2-[3-[(2-chlorophenyl)methyl]-2-(3,4-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-methylacetamide.
What is the SMILES notation for 2-[3-[(2-chlorophenyl)methyl]-2-(3,4-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-methylacetamide?
The canonical SMILES for 2-[3-[(2-chlorophenyl)methyl]-2-(3,4-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-methylacetamide is CNC(=O)CC1S/C(=N\c2ccc(C)c(C)c2)N(Cc2ccccc2Cl)C1=O.
What is the InChIKey of 2-[3-[(2-chlorophenyl)methyl]-2-(3,4-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-methylacetamide?
The InChIKey is HOYLSNDWBILHBI-FLFQWRMESA-N. The full InChI is InChI=1S/C21H22ClN3O2S/c1-13-8-9-16(10-14(13)2)24-21-25(12-15-6-4-5-7-17(15)22)20(27)18(28-21)11-19(26)23-3/h4-10,18H,11-12H2,1-3H3,(H,23,26)/b24-21-.
What are the key properties of 2-[3-[(2-chlorophenyl)methyl]-2-(3,4-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-methylacetamide?
2-[3-[(2-chlorophenyl)methyl]-2-(3,4-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-methylacetamide has a molecular weight of 415.95 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2-chlorophenyl)methyl]-2-(3,4-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-methylacetamide is sourced from PubChem (CID 42954767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).