2-[(5S)-2-(2,3-dichlorophenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]-N-(2,4,6-trimethylphenyl)acetamide

C21H21Cl2N3O2S — CID 40830240

IUPAC2-[(5S)-2-(2,3-dichlorophenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]-N-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)C[C@@H]2S/C(=N/c3cccc(Cl)c3Cl)N(C)C2=O)c(C)c1
InChIInChI=1S/C21H21Cl2N3O2S/c1-11-8-12(2)19(13(3)9-11)25-17(27)10-16-20(28)26(4)21(29-16)24-15-7-5-6-14(22)18(15)23/h5-9,16H,10H2,1-4H3,(H,25,27)/b24-21+/t16-/m0/s1
InChIKeyGBTYOGHBXQMUFW-ASLPFPAGSA-N
MW450.39 g/mol
LogP5.51
Rot. Bonds4

About 2-[(5S)-2-(2,3-dichlorophenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]-N-(2,4,6-trimethylphenyl)acetamide

2-[(5S)-2-(2,3-dichlorophenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]-N-(2,4,6-trimethylphenyl)acetamide (PubChem CID 40830240) has the molecular formula C21H21Cl2N3O2S and a molecular weight of 450.39 g/mol. Its IUPAC name is 2-[(5S)-2-(2,3-dichlorophenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]-N-(2,4,6-trimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[(5S)-2-(2,3-dichlorophenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]-N-(2,4,6-trimethylphenyl)acetamide
PubChem CID40830240
Molecular FormulaC21H21Cl2N3O2S
Molecular Weight450.39 g/mol
Exact Mass449.07
IUPAC Name2-[(5S)-2-(2,3-dichlorophenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]-N-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)C[C@@H]2S/C(=N/c3cccc(Cl)c3Cl)N(C)C2=O)c(C)c1
InChIInChI=1S/C21H21Cl2N3O2S/c1-11-8-12(2)19(13(3)9-11)25-17(27)10-16-20(28)26(4)21(29-16)24-15-7-5-6-14(22)18(15)23/h5-9,16H,10H2,1-4H3,(H,25,27)/b24-21+/t16-/m0/s1
InChIKeyGBTYOGHBXQMUFW-ASLPFPAGSA-N
XLogP5.51
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.39
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(5R)-2-(4-chloro-2-methylphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 40830577
N-(2,3-dichlorophenyl)-2-[2-(3,5-dimethylphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 45143362
N-(3-chloro-2-methylphenyl)-2-[(5S)-2-(5-chloro-2-methylphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 40830580
N-(4-chloro-2,5-dimethoxyphenyl)-2-[(5R)-3-methyl-2-(2-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 1224444
2-[(5S)-2-naphthalen-1-ylimino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 1213678
2-[(5S)-3-butyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 27523623
2-[(5S)-2-(2,6-dimethylphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]-N-(3-methylphenyl)acetamide
CID 1238888
N-(5-chloro-2-methylphenyl)-2-[(5R)-3-methyl-2-(3-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 9429953
2-[2-(2,5-dichlorophenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]-N-naphthalen-1-ylacetamide
CID 45145516
2-[(5S)-2-(5-chloro-2-methylphenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]-N-(2,6-dimethylphenyl)acetamide
CID 9498919
N-(2-bromophenyl)-2-[2-(3,5-dimethylphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 45143363
N-(2,5-dichlorophenyl)-2-[(5R)-3-methyl-2-(4-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 35177861

Frequently Asked Questions

What is the IUPAC name of 2-[(5S)-2-(2,3-dichlorophenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]-N-(2,4,6-trimethylphenyl)acetamide?
The IUPAC name of 2-[(5S)-2-(2,3-dichlorophenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]-N-(2,4,6-trimethylphenyl)acetamide (CID 40830240) is 2-[(5S)-2-(2,3-dichlorophenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]-N-(2,4,6-trimethylphenyl)acetamide.
What is the SMILES notation for 2-[(5S)-2-(2,3-dichlorophenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]-N-(2,4,6-trimethylphenyl)acetamide?
The canonical SMILES for 2-[(5S)-2-(2,3-dichlorophenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]-N-(2,4,6-trimethylphenyl)acetamide is Cc1cc(C)c(NC(=O)C[C@@H]2S/C(=N/c3cccc(Cl)c3Cl)N(C)C2=O)c(C)c1.
What is the InChIKey of 2-[(5S)-2-(2,3-dichlorophenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]-N-(2,4,6-trimethylphenyl)acetamide?
The InChIKey is GBTYOGHBXQMUFW-ASLPFPAGSA-N. The full InChI is InChI=1S/C21H21Cl2N3O2S/c1-11-8-12(2)19(13(3)9-11)25-17(27)10-16-20(28)26(4)21(29-16)24-15-7-5-6-14(22)18(15)23/h5-9,16H,10H2,1-4H3,(H,25,27)/b24-21+/t16-/m0/s1.
What are the key properties of 2-[(5S)-2-(2,3-dichlorophenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]-N-(2,4,6-trimethylphenyl)acetamide?
2-[(5S)-2-(2,3-dichlorophenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]-N-(2,4,6-trimethylphenyl)acetamide has a molecular weight of 450.39 g/mol, XLogP of 5.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5S)-2-(2,3-dichlorophenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]-N-(2,4,6-trimethylphenyl)acetamide is sourced from PubChem (CID 40830240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).